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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 49201 | ZG4 | 20 | C21 H22 N6 O4 S2 | InChI=1S/C21H22N6O4S2/c1- 2-31-18-11-22-10-16(24-18 )13-3-6-15(23-9-13)19(28) 26-21(7-8-21)17-12-32-20( 25-17)27-33(29,30)14-4-5- 14/h3,6,9-12,14H,2,4-5,7- 8H2,1H3,(H,25,27)(H,26,28 ); VIXAYXSBOOBUNP-UHFFFAOYSA-N |
CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4cs c(n4)NS(=O)(=O)C5CC5; CCOc1cncc(n1)c2ccc (nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC 5)n4; O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(c n2)c2cncc(OCC)n2)CC1)C1CC1 |
N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide |
| 49202 | ZG5 | 2 | C23 H25 N3 O6 S | InChI=1S/C23H25N3O6S/c27- 17-18(28)20(23(30)31)32-2 2(19(17)29)26-11-9-25(10- 12-26)21-13-5-1-3-7-15(13 )33-16-8-4-2-6-14(16)24-2 1/h1-8,17-20,22,27-29H,9- 12H2,(H,30,31)/t17-,18-,1 9+,20-,22+/m0/s1; UKCFGNFADWVWOZ-SXFAUFNYSA-N |
c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)[C@H ]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O) O)O; c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4 )C5C(C(C(C(O5)C(=O)O)O)O)O; O=C(O)C1OC(C (O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2cccc c21; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O) =O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35; O[C @@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O )=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35 |
11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| 49203 | ZG6 ZINC000000160835 |
1 | C6 H8 N2 O2 | InChI=1S/C6H8N2O2/c1-4-3- 6(10-8-4)7-5(2)9/h3H,1-2H 3,(H,7,9); UYQNAXVUQCFHSN-UHFFFAOYSA-N |
CC(=O)Nc1onc(C)c1; Cc1cc(on1)NC(=O)C; O= C(C)Nc1cc(C)no1 |
N-(3-methyl-1,2-oxazol-5-yl)acetamide |
| 49204 | ZG7 | 4 | C22 H14 Br Cl N4 O2 | InChI=1S/C22H14BrClN4O2/c 23-14-2-1-3-16(10-14)30-1 8-12-26-20-17(11-25)19(27 -28(20)21(18)29)22(8-9-22 )13-4-6-15(24)7-5-13/h1-7 ,10,12,29H,8-9H2; HDYWNCYXIMKORK-UHFFFAOYSA-N |
Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N) Oc1cccc(Br)c1; Oc1n2nc(c(C#N)c2ncc1Oc3cc cc(Br)c3)C4(CC4)c5ccc(Cl)cc5; c1cc(cc(c1 )Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)C l)C#N |
(8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| 49205 | ZG9 | 1 | C14 H25 N O8 | InChI=1S/C14H25NO8/c1-8(1 6)15-11-13(18)12(17)10(7- 19-2)23-14(11)22-6-9-5-20 -3-4-21-9/h9-14,17-18H,3- 7H2,1-2H3,(H,15,16)/t9-,1 0+,11+,12+,13+,14+/m0/s1; OSYFGNJAUIHPSL-YHBOFVJASA-N |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1 OC[C@@H]2COCCO2)COC)O)O; COC[CH]1O[CH](O C[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O; CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O; C OC[C@H]1O[C@@H](OC[C@@H]2COCCO2)[C@H](NC (C)=O)[C@@H](O)[C@@H]1O; CC(=O)NC1C(O)C( O)C(COC)OC1OCC1COCCO1 |
[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside |
| 49206 | ZGA CHEMBL280978 ZINC000034803452 |
8 | C35 H46 O14 | InChI=1S/C35H46O14/c1-7-1 9(2)17-20(3)13-14-25(37)4 7-28-27(38)33(48-29(30(39 )40)34(45,31(41)42)35(28, 49-33)32(43)44)16-15-21(4 )26(46-23(6)36)22(5)18-24 -11-9-8-10-12-24/h8-14,19 -20,22,26-29,38,45H,4,7,1 5-18H2,1-3,5-6H3,(H,39,40 )(H,41,42)(H,43,44)/b14-1 3+/t19-,20+,22+,26+,27+,2 8+,29+,33-,34+,35-/m0/s1; DFKDOZMCHOGOBR-NCSQYGPNSA-N |
CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@ H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)( C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3 ccccc3)OC(=O)C)O; CC[C@H](C)C[C@H](C)/C= C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(=C)[C @@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@H](C( O)=O)[C@@](O)(C(O)=O)[C@@]1(O2)C(O)=O; C C[CH](C)C[CH](C)C=CC(=O)O[CH]1[CH](O)[C] 2(CCC(=C)[CH](OC(C)=O)[CH](C)Cc3ccccc3)O [CH](C(O)=O)[C](O)(C(O)=O)[C]1(O2)C(O)=O ; CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2) C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)Cc3 ccccc3)OC(=O)C)O; O=C(O)C1(O)C(OC2(OC1(C (=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(= C)\C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O |
Zaragozic acid A; (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| 49207 | ZGB ZINC000000402356 |
5 | C11 H14 O3 | InChI=1S/C11H14O3/c1-8-7- 9(4-6-11(12)13)3-5-10(8)1 4-2/h3,5,7H,4,6H2,1-2H3,( H,12,13); ZATPJYSLVGVGGY-UHFFFAOYSA-N |
COc1ccc(CCC(O)=O)cc1C; Cc1cc(ccc1OC)CCC( =O)O; O=C(O)CCc1ccc(OC)c(c1)C |
3-(4-methoxy-3-methylphenyl)propanoic acid |
| 49208 | ZGC CHEMBL1738950 ZINC000000391192 |
1 | C10 H12 O3 | InChI=1S/C10H12O3/c1-13-9 -5-2-8(3-6-9)4-7-10(11)12 /h2-3,5-6H,4,7H2,1H3,(H,1 1,12); FIUFLISGGHNPSM-UHFFFAOYSA-N |
COc1ccc(cc1)CCC(=O)O; COc1ccc(CCC(O)=O)c c1; O=C(O)CCc1ccc(OC)cc1 |
3-(4-methoxyphenyl)propanoic acid |
| 49209 | ZGD CHEMBL4869303 |
4 | C19 H14 Cl2 F3 N5 O2 | InChI=1S/C19H14Cl2F3N5O2/ c1-25-15-8-16(27-9-26-15) 31-17-13(20)6-12(7-14(17) 21)29-18(30)28-11-4-2-3-1 0(5-11)19(22,23)24/h2-9H, 1H3,(H,25,26,27)(H2,28,29 ,30); QOQADIYOLOHRAW-UHFFFAOYSA-N |
CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc( c3)C(F)(F)F)Cl; CNc1cc(Oc2c(Cl)cc(NC(=O) Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1; CNc1cc(O c2c(Cl)cc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2C l)ncn1 |
N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea |
| 49210 | ZGE ZINC000095920502 |
1 | C12 H19 F N4 O7 | InChI=1S/C12H19FN4O7/c1-3 (19)16-7-6(17-12(14)15)5( 13)9(11(22)23)24-10(7)8(2 1)4(20)2-18/h4,6-8,10,18, 20-21H,2H2,1H3,(H,16,19)( H,22,23)(H4,14,15,17)/t4- ,6+,7-,8-,10-/m1/s1; UCGICVWHWQNCDB-NSNFAWTCSA-N |
CC(=O)N[C@@H]1[C@@H](NC(N)=N)C(=C(O[C@H] 1[C@H](O)[C@H](O)CO)C(O)=O)F; CC(=O)NC1C (C(=C(OC1C(C(CO)O)O)C(=O)O)F)NC(=N)N; CC (=O)N[CH]1[CH](NC(N)=N)C(=C(O[CH]1[CH](O )[CH](O)CO)C(O)=O)F; [H]/N=C(/N)\N[C@@H] 1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@ H](CO)O)O)NC(=O)C; O=C(C)NC1C(N/C(N)=N)C (F)=C(OC1C(O)C(CO)O)C(O)=O |
5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid; (2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid |
| 49211 | ZGF | 1 | C9 H8 Cl N O3 | InChI=1S/C9H8ClNO3/c1-5(1 2)11-7-3-9-8(2-6(7)10)13- 4-14-9/h2-3H,4H2,1H3,(H,1 1,12); WITYEMPIFDFQAG-UHFFFAOYSA-N |
CC(=O)Nc1cc2c(cc1Cl)OCO2; CC(=O)Nc1cc2OC Oc2cc1Cl |
N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide |
| 49212 | ZGG | 2 | C27 H27 N2 O | InChI=1S/C27H27N2O/c1-30- 26-13-8-7-12-24(26)29-20- 25(28-19-9-3-6-14-27(28)2 9)23-17-15-22(16-18-23)21 -10-4-2-5-11-21/h2,4-5,7- 8,10-13,15-18,20H,3,6,9,1 4,19H2,1H3/q+1; ZXQNQLPFZBEUMQ-UHFFFAOYSA-N |
COc1ccccc1n1cc([n+]2CCCCCc21)c1ccc(cc1)c 1ccccc1; COc1ccccc1n2cc([n+]3c2CCCCC3)c4 ccc(cc4)c5ccccc5; COc1ccccc1n2cc(c3ccc(c c3)c4ccccc4)[n+]5CCCCCc25 |
8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene |
| 49213 | ZGI | 2 | C33 H46 N6 O5 S | InChI=1S/C33H46N6O5S/c1-3 1(2,3)25(37-30(44)38-32(4 ,5)6)29(43)39-16-18-22(33 (18,7)8)23(39)27(42)35-20 (15-17-13-14-34-26(17)41) 24(40)28-36-19-11-9-10-12 -21(19)45-28/h9-12,17-18, 20,22-23,25H,13-16H2,1-8H 3,(H,34,41)(H,35,42)(H2,3 7,38,44)/t17-,18-,20-,22- ,23-,25+/m0/s1; ZWFVHGRPHWFQQC-QLJGKSERSA-N |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC( C)(C)C)C(=O)NC(CC3CCNC3=O)C(=O)c4nc5cccc c5s4)C; CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C (=O)NC(CC1CCNC1=O)C(=O)c1nc3ccccc3s1)C2( C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H](N(C 2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C( =O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4nc5ccc cc5s4)C; CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH ]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C(= O)c4sc5ccccc5n4)C2(C)C)C(C)(C)C; CC(C)(C )NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H] 1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4sc5 ccccc5n4)C2(C)C)C(C)(C)C |
(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 49214 | ZGJ | 2 | C26 H26 N3 O | InChI=1S/C26H25N3O/c1-30- 25-12-6-5-11-23(25)24-19- 29(26-27-17-7-8-18-28(24) 26)22-15-13-21(14-16-22)2 0-9-3-2-4-10-20/h2-6,9-16 ,19H,7-8,17-18H2,1H3/p+1; HGDBKVRVNGXGJR-UHFFFAOYSA-O |
COc1ccccc1c2c[n+](c3NCCCCn23)c4ccc(cc4)c 5ccccc5; COc1ccccc1c1c[n+](c2NCCCCn21)c1 ccc(cc1)c1ccccc1; COc1ccccc1c2c[n+](c3n2 CCCCN3)c4ccc(cc4)c5ccccc5 |
3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine |
| 49215 | ZGK CHEMBL1880779 ZINC000000282251 |
1 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-7(11 )10-8-5-3-4-6-9(8)12-2/h3 -6H,1-2H3,(H,10,11); FGOFNVXHDGQVBG-UHFFFAOYSA-N |
CC(=O)Nc1ccccc1OC; COc1ccccc1NC(C)=O | N-(2-methoxyphenyl)acetamide |
| 49216 | ZGL ZINC000002560808 |
2 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c6-3(5 (7)10)1-2-4(8)9/h3H,1-2,6 H2,(H2,7,10)(H,8,9)/t3-/m 1/s1; AEFLONBTGZFSGQ-GSVOUGTGSA-N |
O=C(N)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)N)N ; N[CH](CCC(O)=O)C(N)=O; N[C@H](CCC(O)=O )C(N)=O; C(CC(=O)O)[C@H](C(=O)N)N |
D-alpha-glutamine; Iso-D-glutamine |
| 49217 | ZGM | 6 | C7 H10 O6 | InChI=1S/C7H10O6/c8-4(1-2 -6(10)11)3-5(9)7(12)13/h4 ,8H,1-3H2,(H,10,11)(H,12, 13)/t4-/m0/s1; HNOAJOYERZTSNK-BYPYZUCNSA-N |
O[CH](CCC(O)=O)CC(=O)C(O)=O; O[C@@H](CCC (O)=O)CC(=O)C(O)=O; O=C(CC(O)CCC(O)=O)C( =O)O; C(CC(=O)O)C(CC(=O)C(=O)O)O |
(4S)-4-hydroxy-2-oxoheptanedioic acid |
| 49218 | ZGO | 1 | C33 H54 N6 O6 S | InChI=1S/C33H54N6O6S/c1-3 0(2,3)25(37-29(43)38-33(1 3-10-9-11-14-33)19-46(44, 45)31(4,5)6)28(42)39-18-2 2-23(32(22,7)8)24(39)27(4 1)36-21(17-34)16-20-12-15 -35-26(20)40/h20-25H,9-16 ,18-19H2,1-8H3,(H,35,40)( H,36,41)(H2,37,38,43)/t20 -,21-,22-,23-,24-,25+/m0/ s1; BSSSIUKIEUQFQH-QXMOZHRRSA-N |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3 (CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CC NC4=O)C#N)C; CC(C)(C)[C@H](NC(=O)NC1(CCC CC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2C[C@H]3[ C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O )C#N)C3(C)C; CC1(C)C2C(C(=O)NC(C#N)CC3CC NC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O) C(C)(C)C)CCCCC1)C(C)(C)C; CC(C)(C)[CH](N C(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(= O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCN C4=O)C#N)C3(C)C; CC1([C@@H]2[C@H]1[C@H]( N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC 3)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](C[C@@H ]4CCNC4=O)C#N)C |
(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 49219 | ZGP ZINC000231428374 |
2 | C19 H23 N6 O10 P S | InChI=1S/C19H23N6O10PS/c1 -6-8(3-10(26)37)22-16(29) 7(2)14(6)35-36(31,32)33-4 -9-12(27)13(28)18(34-9)25 -5-21-11-15(25)23-19(20)2 4-17(11)30/h5,9,12-13,18, 27-28H,3-4H2,1-2H3,(H,22, 29)(H,26,37)(H,31,32)(H3, 20,23,24,30)/t9-,12-,13-, 18-/m1/s1; JZNXQNYXQOKUIF-ACDAHVMNSA-N |
Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H ]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O) CC(=O)S; Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C( O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S; Cc1c(O)nc(CC(S)=O)c(C)c1O[P](O)(=O)OC[C@ H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC (=Nc34)N; O=C(S)Cc4nc(O)c(c(OP(=O)(O)OCC 3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C; C c1c(O)nc(CC(S)=O)c(C)c1O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34 )N |
5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine |
| 49220 | ZGQ ZINC000020238697 |
1 | C10 H13 N O | InChI=1S/C10H13NO/c1-8-5- 3-4-6-10(8)7-11-9(2)12/h3 -6H,7H2,1-2H3,(H,11,12); IEDUYFDGPFWNLZ-UHFFFAOYSA-N |
CC(=O)NCc1ccccc1C; Cc1ccccc1CNC(=O)C | N-[(2-methylphenyl)methyl]acetamide |
| 49221 | ZGR ZINC000060196162 |
10 | C18 H24 O6 | InChI=1S/C18H24O6/c1-12(1 9)6-5-9-14(20)8-4-2-3-7-1 3-10-15(21)11-16(22)17(13 )18(23)24/h3,7,10-12,19,2 1-22H,2,4-6,8-9H2,1H3,(H, 23,24)/b7-3+/t12-/m0/s1; KZABMNZGZHPCFB-QBODLPLBSA-N |
CC(CCCC(=O)CCCC=Cc1cc(cc(c1C(=O)O)O)O)O; C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O) O)O)O)O; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O )cc(O)c1C(O)=O; c1(C(=O)O)c(O)cc(cc1\C=C \CCCC(=O)CCCC(C)O)O; C[CH](O)CCCC(=O)CCC C=Cc1cc(O)cc(O)c1C(O)=O |
2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid |
| 49222 | ZGS ZINC000032822197 |
8 | C26 H49 N O7 P | InChI=1S/C26H48NO7P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-17-18-19-20-26(29)32- 23-25(28)24-34-35(30,31)3 3-22-21-27(2,3)4/h6-7,9-1 0,12-13,25,28H,5,8,11,14- 24H2,1-4H3/p+1/b7-6-,10-9 -,13-12-/t25-/m1/s1; WKQNRCYKYCKESD-YVHLTTHBSA-O |
C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCC CC/C=C\C/C=C\C/C=C\CC; CCC=CCC=CCC=CCCCC CCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; CCC=CCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P]( O)(=O)OCC[N+](C)(C)C; CC/C=C\C/C=C\C/C=C \CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C )(C)C)O; CC\C=C/C/C=C\C\C=C/CCCCCCCC(=O) OC[C@@H](O)CO[P](O)(=O)OCC[N+](C)(C)C |
[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate; LysoPC(18:3(9Z,12Z,15Z)) |
| 49223 | ZGU ZINC000058638968 |
0 | C8 H12 N5 O6 P | InChI=1S/C8H12N5O6P/c9-8- 11-6-5(7(15)12-8)10-3-13( 6)1-4(14)2-19-20(16,17)18 /h3-4,14H,1-2H2,(H2,16,17 ,18)(H3,9,11,12,15)/t4-/m 0/s1; RFPODYUIIQSFDZ-BYPYZUCNSA-N |
O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N; c 1nc2c(n1CC(COP(=O)(O)O)O)N=C(NC2=O)N; c1 nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N ; NC1=Nc2n(C[CH](O)CO[P](O)(O)=O)cnc2C(= O)N1; NC1=Nc2n(C[C@H](O)CO[P](O)(O)=O)cn c2C(=O)N1 |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE |
| 49224 | ZGV | 28 | C18 H22 N2 O5 | InChI=1S/C18H22N2O5/c1-3- 15(21)6-4-5-13(2)7-9-16(2 2)19-17(23)10-8-14-11-12- 20(14)18(24)25/h4-11,15,2 1H,3,12H2,1-2H3,(H,24,25) (H,19,22,23)/b6-4+,9-7+,1 0-8+,13-5+/t15-/m0/s1; SEMHODIMVPKJPJ-ATTYUXRXSA-N |
CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C= C/C1=CCN1C(=O)O)O; CC[CH](O)C=CC=C(C)C=C C(=O)NC(=O)C=CC1=CCN1C(O)=O; OC(=O)N1CC= C1/C=C/C(=O)NC(=O)/C=CC(\C)=C\C=C\C(O)CC ; CC[C@H](O)\C=C\C=C(C)\C=C\C(=O)NC(=O)\ C=C\C1=CCN1C(O)=O; CCC(C=CC=C(C)C=CC(=O) NC(=O)C=CC1=CCN1C(=O)O)O |
4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid |
| 49225 | ZGW CHEMBL4802135 DB16691 |
1 | C23 H32 F3 N5 O4 | InChI=1S/C23H32F3N5O4/c1- 21(2,3)16(30-20(35)23(24, 25)26)19(34)31-10-13-14(2 2(13,4)5)15(31)18(33)29-1 2(9-27)8-11-6-7-28-17(11) 32/h11-16H,6-8,10H2,1-5H3 ,(H,28,32)(H,29,33)(H,30, 35)/t11-,12-,13-,14-,15-, 16+/m0/s1; LIENCHBZNNMNKG-OJFNHCPVSA-N |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F )(F)F)C(=O)NC(CC3CCNC3=O)C#N)C; CC1([C@@ H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C) NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC 3=O)C#N)C; CC(C)(C)[CH](NC(=O)C(F)(F)F)C (=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3C CNC3=O)C#N)C2(C)C; CC(C)(C)[C@H](NC(=O)C (F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O) N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C; CC1( C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O )C(NC(=O)C(F)(F)F)C(C)(C)C |
Nirmatrelvir; (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 49226 | ZGX | 1 | C6 H10 N2 O | InChI=1S/C6H10N2O/c1-6(9) 8-4-2-7-3-5-8/h2,4,7H,3,5 H2,1H3; GYAZTMNAHJBEMX-UHFFFAOYSA-N |
CC(=O)N1CCNC=C1; CC(=O)N1C=CNCC1 | 1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one |
| 49227 | ZGY | 2 | C19 H15 Br F N7 O3 S | InChI=1S/C19H15BrFN7O3S/c 20-13-10-24-19(26-11-4-6- 12(7-5-11)32(30,31)25-9-8 -22)28-18(13)27-15-3-1-2- 14(21)16(15)17(23)29/h1-7 ,10,25H,9H2,(H2,23,29)(H2 ,24,26,27,28); JFPLXLDERUBJPU-UHFFFAOYSA-N |
c1cc(c(c(c1)F)C(=O)N)Nc2c(cnc(n2)Nc3ccc( cc3)S(=O)(=O)NCC#N)Br; NC(=O)c1c(F)cccc1 Nc2nc(Nc3ccc(cc3)[S](=O)(=O)NCC#N)ncc2Br ; NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O )(=O)NCC#N)ncc1Br |
2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide |
| 49228 | ZH0 CHEMBL4850298 ZINC000072178592 |
1 | C21 H29 N3 O5 | InChI=1S/C21H29N3O5/c1-14 (2)10-18(24-21(28)29-13-1 5-6-4-3-5-7-15)20(27)23-1 7(12-25)11-16-8-9-22-19(1 6)26/h3-7,12,14,16-18H,8- 11,13H2,1-2H3,(H,22,26)(H ,23,27)(H,24,28)/t16-,17- ,18-/m0/s1; QYENXTYKACLCGO-BZSNNMDCSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCc 2ccccc2; CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N C(CC1CCNC1=O)C=O; CC(C)C[CH](NC(=O)OCc1c cccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O; CC(C )C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C= O)NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(=O)OC c1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C= O |
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
| 49229 | ZH1 CHEMBL1171277 ZINC000064321342 |
5 | C20 H22 O8 | InChI=1S/C20H22O8/c1-26-1 9(25)13-4-2-3-12(9-13)11- 5-7-14(8-6-11)27-20-18(24 )17(23)16(22)15(10-21)28- 20/h2-9,15-18,20-24H,10H2 ,1H3/t15-,16-,17+,18+,20+ /m1/s1; GDSLRMGPZWIAEZ-JGLNRKDHSA-N |
COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3 )CO)O)O)O; COC(=O)c1cccc(c1)c2ccc(O[CH]3 O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2; COC(= O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H ]([C@@H]([C@H](O3)CO)O)O)O; COC(=O)c1ccc c(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@ H](O)[C@@H]3O)cc2; O=C(OC)c1cccc(c1)c3cc c(OC2OC(C(O)C(O)C2O)CO)cc3 |
methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate |
| 49230 | ZH2 CHEMBL1643369 ZINC000066112219 |
3 | C21 H19 N3 O4 | InChI=1S/C21H19N3O4/c1-14 (25)19(21(27)24-28)23-20( 26)17-10-6-15(7-11-17)4-2 -3-5-16-8-12-18(22)13-9-1 6/h6-14,19,25,28H,22H2,1H 3,(H,23,26)(H,24,27)/t14- ,19+/m1/s1; SNVYDNOGPYZQEV-KUHUBIRLSA-N |
C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc (N)cc2)C(=O)NO; C[C@H]([C@@H](C(=O)NO)NC (=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O; C[C@@ H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N )cc2)C(=O)NO; c2c(C(NC(C(O)C)C(=O)NO)=O) ccc(C#CC#Cc1ccc(cc1)N)c2; CC(C(C(=O)NO)N C(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O |
4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide |
| 49231 | ZH3 | 0 | H3 O3 Zn | InChI=1/3H2O.Zn/h3*1H2;/q ;;;+2/p-3/f3HO.Zn/h3*1h;/ q3*-1;m/rH3O3Zn/c1-4(2)3/ h1-3H/q-1; FTXMHASAYZWVCS-DEYPKKNDCF |
O[Zn-](O)O | ZINC TRIHYDROXIDE |
| 49232 | ZH4 ZINC000064746719 |
1 | C21 H17 N3 O4 | InChI=1S/C21H17N3O4/c1-14 (25)19(21(27)24-28)23-20( 26)17-11-9-15(10-12-17)5- 2-3-6-16-7-4-8-18(22)13-1 6/h4,7-14,19,25H,22H2,1H3 ,(H,23,26)/t14-,19+/m1/s1; HOPLGMFTTVLMDZ-KUHUBIRLSA-N |
C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2 cccc(N)c2)C(=O)N=O; C[CH](O)[CH](NC(=O)c 1ccc(cc1)C#CC#Cc2cccc(N)c2)C(=O)N=O; C[C @H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC #Cc2cccc(c2)N)O; CC(C(C(=O)N=O)NC(=O)c1c cc(cc1)C#CC#Cc2cccc(c2)N)O; O=NC(=O)C(NC (=O)c2ccc(C#CC#Cc1cc(N)ccc1)cc2)C(O)C |
4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide |
| 49233 | ZH5 CHEMBL5395323 |
2 | C17 H19 Cl N6 S | InChI=1S/C17H19ClN6S/c1-1 7(19)6-8-24(9-7-17)13-10- 20-14-15(21-13)22-23-16(1 4)25-12-5-3-2-4-11(12)18/ h2-5,10H,6-9,19H2,1H3,(H, 21,22,23); UVMSWNKXHCSARG-UHFFFAOYSA-N |
CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl )n2; CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3 Cl)c2nc1; CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3 Sc4ccccc4Cl)N |
1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine |
| 49234 | ZH7 CHEMBL4096158 |
3 | C58 H96 O21 | InChI=1S/C58H96O21/c1-29- 17-16-18-40(59)43(69-13)2 5-45(76-55(65)33(5)23-31( 3)21-30(2)22-32(4)41(20-1 9-29)77-56-51(63)50(62)52 (71-15)37(9)74-56)53(64)5 8(67)35(7)48(60)34(6)42(7 9-58)24-39(28-68-12)75-47 -27-57(11,66)54(38(10)73- 47)78-46-26-44(70-14)49(6 1)36(8)72-46/h17,19-23,32 ,34-54,56,59-64,66-67H,16 ,18,24-28H2,1-15H3/b20-19 +,29-17+,30-22+,31-21+,33 -23+/t32-,34+,35-,36-,37+ ,38+,39-,40+,41-,42-,43+, 44-,45+,46+,47+,48+,49-,5 0+,51+,52+,53-,54+,56+,57 +,58-/m1/s1; WILMROCKORZEMQ-AIUMZUNXSA-N |
CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1O C2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C( C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5) C)O)OC)(C)O)C)O)C)O)O)C)C)C; COC[C@@H](C [C@H]1O[C@](O)([C@H](C)[C@@H](O)[C@H]1C) [C@H](O)[C@@H]2C[C@H](OC)[C@@H](O)CC/C=C (C)/C=C/[C@@H](O[C@@H]3O[C@@H](C)[C@H](O C)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C( C)\C=C(/C)C(=O)O2)O[C@H]4C[C@](C)(O)[C@@ H](O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5 )[C@H](C)O4; OC(C1CC(OC)C(O)CCC=C(C)C=CC (OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C= C(C)C(=O)O1)C1(O)OC(CC(COC)OC2CC(C)(O)C( OC3CC(OC)C(O)C(C)O3)C(C)O2)C(C)C(O)C1C; COC[CH](C[CH]1O[C](O)([CH](C)[CH](O)[CH] 1C)[CH](O)[CH]2C[CH](OC)[CH](O)CCC=C(C)C =C[CH](O[CH]3O[CH](C)[CH](OC)[CH](O)[CH] 3O)[CH](C)C=C(C)C=C(C)C=C(C)C(=O)O2)O[CH ]4C[C](C)(O)[CH](O[CH]5C[CH](OC)[CH](O)[ CH](C)O5)[CH](C)O4; C[C@@H]1/C=C(/C=C(/C =C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C =C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H ](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H] ([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4 C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C @@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\ C)\C |
(3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one; Apoptolidin A |
| 49235 | ZH8 | 1 | C17 H22 N3 O7 | InChI=1S/C17H21N3O7/c1-9( 22)18-14-16(25)15(24)11(7 -21)27-17(14)26-8-10-6-13 (23)20-5-3-2-4-12(20)19-1 0/h2-5,11,14-17,21,24-25H ,6-8H2,1H3/p+1/t11-,14-,1 5-,16-,17-/m1/s1; IMUQPAHFXRVTMB-JSPVNYKOSA-O |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO )O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2; CC(=O) NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc 2N=1; CC(=O)NC1C(C(C(OC1OCC2=Nc3cccc[n+] 3C(=O)C2)CO)O)O; CC(=O)N[C@@H]1[C@H]([C@ @H]([C@H](O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C 2)CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH] (CO)O[CH]1OCC2=Nc3cccc[n+]3C(=O)C2 |
~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide |
| 49236 | ZHA CHEMBL1568712 ZINC000004271927 |
5 | C12 H13 N O2 | InChI=1S/C12H13NO2/c1-8(1 4)13-10-5-6-11-9(7-10)3-2 -4-12(11)15/h5-7H,2-4H2,1 H3,(H,13,14); WEBCZGJWXXPNHB-UHFFFAOYSA-N |
CC(=O)Nc1ccc2c(c1)CCCC2=O; CC(=O)Nc1ccc2 C(=O)CCCc2c1 |
~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide |
| 49237 | ZHB CHEMBL372840 ZINC000004025170 |
10 | C18 H24 O5 | InChI=1S/C18H24O5/c1-12-6 -5-9-14(19)8-4-2-3-7-13-1 0-15(20)11-16(21)17(13)18 (22)23-12/h3,7,10-12,14,1 9-21H,2,4-6,8-9H2,1H3/b7- 3+/t12-,14-/m0/s1; FPQFYIAXQDXNOR-PMRAARRBSA-N |
C[CH]1CCC[CH](O)CCCC=Cc2cc(O)cc(O)c2C(=O )O1; CC1CCCC(CCCC=Cc2cc(cc(c2C(=O)O1)O)O )O; C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc (O)c2C(=O)O1; C1C(CCCC=Cc2c(C(OC(CC1)C)= O)c(cc(O)c2)O)O; C[C@H]1CCC[C@H](CCC/C=C /c2cc(cc(c2C(=O)O1)O)O)O |
(3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one |
| 49238 | ZHD | 2 | C59 H96 O22 | InChI=1S/C59H96O22/c1-29- 20-30(2)24-40(60)43(72-15 )27-42(77-55(67)34(6)25-3 9(71-14)23-31(3)22-33(5)5 0(32(4)21-29)79-56-49(64) 48(63)47(62)36(8)76-56)35 (7)59(69)54(73-16)53(66)5 8(12,44(80-59)18-17-19-70 -13)81-45-26-41(61)51(37( 9)74-45)78-46-28-57(11,68 )52(65)38(10)75-46/h20-25 ,33,35-38,40-54,56,60-66, 68-69H,17-19,26-28H2,1-16 H3/b29-20+,30-24+,31-22+, 32-21+,34-25+,39-23-/t33- ,35-,36+,37-,38-,40-,41+, 42+,43+,44-,45+,46+,47+,4 8-,49+,50-,51-,52-,53-,54 -,56+,57-,58-,59+/m1/s1; QVIWDCUKIZPUBD-RSDTUZBPSA-N |
CC1C=C(C=C(C=C(C(=O)OC(CC(C(C=C(C=C(C=C( C1OC2C(C(C(C(O2)C)O)O)O)C)C)C)O)OC)C(C)C 3(C(C(C(C(O3)CCCOC)(C)OC4CC(C(C(O4)C)OC5 CC(C(C(O5)C)O)(C)O)O)O)OC)O)C)OC)C; C[C@ @H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H] ([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@ H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C) \C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@] ([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H] ([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O 5)C)O)(C)O)O)O)OC)O)\C)\OC)\C; COCCC[C@H ]1O[C@@](O)([C@H](C)[C@@H]2C[C@H](OC)[C@ H](O)/C=C(C)/C=C(C)/C=C(\C)[C@@H](O[C@@H ]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C @H](C)\C=C(C)\C=C(OC)\C=C(/C)C(=O)O2)[C@ H](OC)[C@@H](O)[C@]1(C)O[C@H]4C[C@H](O)[ C@H](O[C@H]5C[C@@](C)(O)[C@H](O)[C@@H](C )O5)[C@@H](C)O4; COCCC[CH]1O[C](O)([CH]( C)[CH]2C[CH](OC)[CH](O)C=C(C)C=C(C)C=C(C )[CH](O[CH]3O[CH](C)[CH](O)[CH](O)[CH]3O )[CH](C)C=C(C)C=C(OC)C=C(C)C(=O)O2)[CH]( OC)[CH](O)[C]1(C)O[CH]4C[CH](O)[CH](O[CH ]5C[C](C)(O)[CH](O)[CH](C)O5)[CH](C)O4; CC1(O)CC(OC(C)C1O)OC1C(O)CC(OC1C)OC1(C)C (CCCOC)OC(O)(C(C)C2CC(OC)C(O)C=C(C)C=C(C )C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C =C(OC)C=C(C)C(=O)O2)C(OC)C1O |
(3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one; Ammocidin A |
| 49239 | ZHE | 1 | C15 H27 N O6 | InChI=1S/C15H27NO6/c1-9(1 8)16-12-14(20)13(19)11(7- 17)22-15(12)21-8-10-5-3-2 -4-6-10/h10-15,17,19-20H, 2-8H2,1H3,(H,16,18)/t11-, 12-,13-,14-,15-/m1/s1; ZYHQMRNILDNVCD-KJWHEZOQSA-N |
CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC 2CCCCC2; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H ](O[C@H]1OCC2CCCCC2)CO)O)O; CC(=O)N[C@@H ]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2 CCCCC2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC CC1 |
cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 49240 | ZHF | 2 | C23 H26 N4 O2 S | InChI=1S/C23H26N4O2S/c1-2 -4-20(23(29)27-10-7-21-19 (15-27)8-12-30-21)25-22(2 8)18-6-3-5-17(13-18)14-26 -11-9-24-16-26/h3,5-6,8-9 ,11-13,16,20H,2,4,7,10,14 -15H2,1H3,(H,25,28)/t20-/ m0/s1; DUKKJDZKLSMCLK-FQEVSTJZSA-N |
CCCC(C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c 3)Cn4ccnc4; CCC[C@H](NC(=O)c1cccc(Cn2ccn c2)c1)C(=O)N3CCc4sccc4C3; CCC[CH](NC(=O) c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3; C CC[C@@H](C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cc cc(c3)Cn4ccnc4; CCCC(NC(=O)c1cccc(Cn2ccn c2)c1)C(=O)N1CCc2sccc2C1 |
N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide |
| 49241 | ZHG | 2 | C10 H14 O5 | InChI=1S/C10H14O5/c1-4(11 )8-6(13)3-7(14)9(5(2)12)1 0(8)15/h3-5,11-15H,1-2H3/ t4-,5-/m1/s1; HTMUMTIHRQAXFS-RFZPGFLSSA-N |
C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O; CC(c1 c(cc(c(c1O)C(C)O)O)O)O; C[C@H](c1c(cc(c( c1O)[C@@H](C)O)O)O)O; C[C@@H](O)c1c(O)cc (O)c([C@@H](C)O)c1O |
2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol |
| 49242 | ZHH CHEMBL101036 ZINC000000391188 |
2 | C9 H13 N O | InChI=1S/C9H13NO/c1-11-9- 4-2-8(3-5-9)6-7-10/h2-5H, 6-7,10H2,1H3; LTPVSOCPYWDIFU-UHFFFAOYSA-N |
COc1ccc(CCN)cc1; O(c1ccc(cc1)CCN)C; COc1 ccc(cc1)CCN |
2-(4-METHOXYPHENYL)ETHANAMINE |
| 49243 | ZHJ | 1 | C20 H19 N3 O5 | InChI=1S/C20H19N3O5/c1-28 -15-11-12(7-8-14(15)24)9- 10-21-19(26)16-17(25)20(2 7)23-18(22-16)13-5-3-2-4- 6-13/h2-8,11,24-25H,9-10H 2,1H3,(H,21,26)(H,22,23,2 7); SMGLFQZBAVAYPQ-UHFFFAOYSA-N |
OC1=C(N=C(NC1=O)c1ccccc1)C(=O)NCCc1ccc(O )c(OC)c1; COc1cc(CCNC(=O)C2=C(O)C(=O)NC( =N2)c3ccccc3)ccc1O; COc1cc(ccc1O)CCNC(=O )C2=C(C(=O)NC(=N2)c3ccccc3)O |
5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide |
| 49244 | ZHK ZINC000096269986 |
3 | C20 H15 Cl2 N5 O4 S2 | InChI=1S/C20H15Cl2N5O4S2/ c1-10(18(28)25-12-3-5-13( 6-4-12)33(24,30)31)32-20- 26-17(14(9-23)19(29)27-20 )11-2-7-15(21)16(22)8-11/ h2-8,10H,1H3,(H,25,28)(H2 ,24,30,31)(H,26,27,29)/t1 0-/m1/s1; YDJOCTZRWDYNJT-SNVBAGLBSA-N |
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C( C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl; C[C@@H](SC 1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)c(Cl)c2)C(= O)Nc3ccc(cc3)[S](N)(=O)=O; N#CC2=C(N=C(S C(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C)NC2=O)c3c cc(Cl)c(Cl)c3; C[C@H](C(=O)Nc1ccc(cc1)S( =O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c 3)Cl)Cl; C[CH](SC1=NC(=C(C#N)C(=O)N1)c2c cc(Cl)c(Cl)c2)C(=O)Nc3ccc(cc3)[S](N)(=O) =O |
(2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
| 49245 | ZHL | 1 | C16 H23 N O8 | InChI=1S/C16H23NO8/c1-5(1 9)17-10-12(21)11(20)9(4-1 8)23-16(10)25-13-6-2-7-8( 3-6)15(22)24-14(7)13/h6-1 4,16,18,20-21H,2-4H2,1H3, (H,17,19)/t6-,7+,8-,9+,10 +,11+,12+,13-,14-,16-/m0/ s1; AZLZNNDRSGSYAX-NWESXJQGSA-N |
CC(=O)NC1C(C(C(OC1OC2C3CC4C2OC(=O)C4C3)C O)O)O; CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC( =O)C3CC1CC23; CC(=O)N[CH]1[CH](O)[CH](O) [CH](CO)O[CH]1O[CH]2[CH]3C[CH]4[CH](C3)C (=O)O[CH]24; CC(=O)N[C@@H]1[C@H]([C@@H]( [C@H](O[C@H]1O[C@H]2[C@H]3C[C@H]4[C@@H]2 OC(=O)[C@H]4C3)CO)O)O; CC(=O)N[C@@H]1[C@ @H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C @H]3C[C@@H]4[C@H](C3)C(=O)O[C@H]24 |
(3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 49246 | ZHM CHEMBL5094520 |
1 | C19 H19 Br2 N5 O | InChI=1S/C19H19Br2N5O/c1- 12-19(26(25-24-12)14-7-9- 22-10-8-14)16-3-2-4-18(23 -16)27-17-11-13(20)5-6-15 (17)21/h2-6,11,14,22H,7-1 0H2,1H3; ONGSSQIENWXPHP-UHFFFAOYSA-N |
Cc1nnn(C2CCNCC2)c1c3cccc(Oc4cc(Br)ccc4Br )n3; Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc (ccc4Br)Br; Brc1cc(Oc2cccc(n2)c2c(C)nnn2 C2CCNCC2)c(Br)cc1 |
2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine |
| 49247 | ZHN CHEMBL5278029 ZINC000101371617 |
1 | C22 H34 O5 | InChI=1S/C22H34O5/c1-3-5- 7-8-9-10-12-19(24)22-17(1 4-18(23)16-20(22)25)15-21 (26)27-13-11-6-4-2/h14,16 ,23,25H,3-13,15H2,1-2H3; FCKDHZVFIMRCNM-UHFFFAOYSA-N |
CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC; CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC ; O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCC C |
pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate |
| 49248 | ZHO CHEMBL3919831 DB21566 |
1 | C26 H29 N9 | InChI=1S/C26H29N9/c1-18-3 0-31-26-24(27-2)28-22(17- 34(18)26)25-29-21-10-9-20 (33-13-11-32(3)12-14-33)1 5-23(21)35(25)16-19-7-5-4 -6-8-19/h4-10,15,17H,11-1 4,16H2,1-3H3,(H,27,28); JLUUVUUYIXBDCG-UHFFFAOYSA-N |
Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc 5)N6CCN(CC6)C; CNc1nc(cn2c(C)nnc12)c3nc4 ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6 |
~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine |
| 49249 | ZHP ZINC000058638969 |
0 | C9 H14 N O7 P | InChI=1S/C9H14NO7P/c1-6-9 (13)8(12)2-3-10(6)4-7(11) 5-17-18(14,15)16/h2-3,7,1 1,13H,4-5H2,1H3,(H2,14,15 ,16)/t7-/m0/s1; ZGKIDEITKNGVFV-ZETCQYMHSA-N |
CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O; CC1=C(C(=O)C=CN1CC(COP(=O)(O)O)O)O; O=P (O)(O)OCC(O)CN1C(=C(O)C(=O)C=C1)C; CC1=C (O)C(=O)C=CN1C[C@H](O)CO[P](O)(O)=O; CC1 =C(O)C(=O)C=CN1C[CH](O)CO[P](O)(O)=O |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDROXYPYRIDONE |
| 49250 | ZHR | 1 | C18 H23 N O7 | InChI=1S/C18H23NO7/c1-10( 21)19-15-17(23)16(22)14(9 -20)26-18(15)25-6-4-11-2- 3-13-12(8-11)5-7-24-13/h2 -3,5,7-8,14-18,20,22-23H, 4,6,9H2,1H3,(H,19,21)/t14 -,15-,16-,17-,18-/m1/s1; JHBAVCSLSALDCZ-DUQPFJRNSA-N |
CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c 1; CC(=O)NC1C(C(C(OC1OCCc2ccc3c(c2)cco3) CO)O)O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H] (O[C@H]1OCCc2ccc3c(c2)cco3)CO)O)O; CC(=O )N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@ H]1OCCc2ccc3occc3c2; CC(=O)N[CH]1[CH](O) [CH](O)[CH](CO)O[CH]1OCCc2ccc3occc3c2 |
2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 49251 | ZHS CHEMBL5083660 |
1 | C25 H34 N6 O | InChI=1S/C25H34N6O/c1-18- 15-19(2)17-22(16-18)32-24 -8-6-7-23(26-24)25-20(3)2 7-28-31(25)21-9-11-30(12- 10-21)14-13-29(4)5/h6-8,1 5-17,21H,9-14H2,1-5H3; PIKWYDHWUKSWAQ-UHFFFAOYSA-N |
CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc( C)cc(C)c4)n3; Cc1cc(cc(C)c1)Oc1cccc(n1)c 1c(C)nnn1C1CCN(CCN(C)C)CC1; Cc1cc(cc(c1) Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C |
2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
| 49252 | ZHT | 1 | C25 H36 N6 O4 | InChI=1S/C25H36N6O4/c1-28 (2)10-5-11-29-12-14-30(18 -20-6-3-8-22(26-20)24(32) 33)16-17-31(15-13-29)19-2 1-7-4-9-23(27-21)25(34)35 /h3-4,6-9H,5,10-19H2,1-2H 3,(H,32,33)(H,34,35); PCYMPEWCWVVCFC-UHFFFAOYSA-N |
CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O) Cc3cccc(n3)C(=O)O; CN(C)CCCN1CCN(CCN(CC1 )Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O |
6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid |
| 49253 | ZHU | 1 | C35 H51 N O5 | InChI=1S/C35H51NO5/c1-7-2 1(3)28(37)17-26-18-29(38) 23(5)12-10-8-9-11-22(4)27 -14-13-25-16-20(2)15-24(6 )31(25)32(27)34(40)33-30( 39)19-36(26)35(33)41/h7,1 1,13-14,20,23-27,29,31-32 ,38-39H,8-10,12,15-19H2,1 -6H3/b21-7+,22-11+/t20-,2 3-,24+,25-,26-,27+,29-,31 +,32+/m0/s1; JHMIBJNFMQEKJX-UMHNJBJSSA-N |
C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC /C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H] 3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O; C\C=C(/C)C(=O)C[C@H]1C[C@H](O)[C@@H](C)C CCC\C=C(C)\[C@H]2C=C[C@H]3C[C@@H](C)C[C@ @H](C)[C@H]3[C@@H]2C(=O)C4=C(O)C[N@]1C4= O; CC=C(C)C(=O)C[CH]1C[CH](O)[CH](C)CCCC C=C(C)[CH]2C=C[CH]3C[CH](C)C[CH](C)[CH]3 [CH]2C(=O)C4=C(O)C[N]1C4=O; CC=C(C)C(=O) CC1CC(C(CCCCC=C(C2C=CC3CC(CC(C3C2C(=O)C4 =C(CN1C4=O)O)C)C)C)C)O |
Alchivemycin A |
| 49254 | ZHV CHEMBL5080584 |
1 | C23 H28 Br2 N6 O | InChI=1S/C23H28Br2N6O/c1- 16-23(31(28-27-16)18-9-11 -30(12-10-18)14-13-29(2)3 )20-5-4-6-22(26-20)32-21- 15-17(24)7-8-19(21)25/h4- 8,15,18H,9-14H2,1-3H3; RSOZHLZHAXOEGJ-UHFFFAOYSA-N |
Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)O c4cc(ccc4Br)Br; Brc1cc(Oc2cccc(n2)c2c(C) nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1; CN(C)CCN 1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(Br)ccc4B r)n3 |
2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine |
| 49255 | ZHW | 0 | C9 H10 F N O3 S | InChI=1S/C9H10FNO3S/c10-1 5(12,13)14-9-3-1-2-6-7(9) 4-5-8(6)11/h1-3,8H,4-5,11 H2/t8-/m1/s1; RYLHEHRDZCXSQL-MRVPVSSYSA-N |
FS(=O)(=O)Oc1cccc2c1CCC2N; N[C@@H]1CCc2c (O[S](F)(=O)=O)cccc12; N[CH]1CCc2c(O[S]( F)(=O)=O)cccc12; c1cc2c(c(c1)OS(=O)(=O)F )CC[C@H]2N; c1cc2c(c(c1)OS(=O)(=O)F)CCC2 N |
(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate |
| 49256 | ZHX CHEMBL1462839 ZINC000000483877 |
4 | C16 H21 N3 O2 | InChI=1S/C16H21N3O2/c1-11 (2)10-14(20)17-15-12(3)18 (4)19(16(15)21)13-8-6-5-7 -9-13/h5-9,11H,10H2,1-4H3 ,(H,17,20); WBRXDBQUBLYLAD-UHFFFAOYSA-N |
CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2; CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C |
~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide |
| 49257 | ZHY CHEMBL484307 ZINC000038267733 |
1 | C20 H20 N4 O4 | InChI=1S/C20H20N4O4/c1-26 -16-8-14(9-17(27-2)19(16) 28-3)23-18-11-22-10-15(24 -18)12-4-6-13(7-5-12)20(2 1)25/h4-11H,1-3H3,(H2,21, 25)(H,23,24); LZLKDDDQYGMZTB-UHFFFAOYSA-N |
COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C (=O)N; COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)= O)cc(OC)c1OC; NC(=O)c1ccc(cc1)c1cncc(Nc2 cc(OC)c(OC)c(OC)c2)n1 |
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide |
| 49258 | ZHZ CHEMBL157604 DB08767 ZINC000000156551 |
2 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-12-8 -4-2-7(3-5-8)6-9(10)11/h2 -5H,6H2,1H3,(H2,10,11); OLKQIWCQICCYQS-UHFFFAOYSA-N |
COc1ccc(cc1)CC(=O)N; O=C(N)Cc1ccc(OC)cc1 ; COc1ccc(CC(N)=O)cc1 |
2-(4-METHOXYPHENYL)ACETAMIDE |
| 49259 | ZI0 CHEMBL3781069 ZINC000308451754 |
0 | C8 H11 N O5 | InChI=1S/C8H11NO5/c10-6(4 -7(11)12)9-3-1-2-5(9)8(13 )14/h5H,1-4H2,(H,11,12)(H ,13,14)/t5-/m0/s1; OFSJFCHZCUQYDU-YFKPBYRVSA-N |
OC(=O)CC(=O)N1CCC[CH]1C(O)=O; C1CC(N(C1) C(=O)CC(=O)O)C(=O)O; OC(=O)CC(=O)N1CCC[C @H]1C(O)=O |
N-MALONYL-PROLINE; 1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid |
| 49260 | ZI1 ZINC000103234482 |
1 | C19 H12 Br F5 N2 O3 | InChI=1S/C19H12BrF5N2O3/c 1-8(29-12-7-6-11(21)13(14 (12)22)17(26)28)18-27-15( 16(20)30-18)9-2-4-10(5-3- 9)19(23,24)25/h2-8H,1H3,( H2,26,28)/t8-/m1/s1; VMZXYVWYPGADSK-MRVPVSSYSA-N |
CC(c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3cc c(c(c3F)C(=O)N)F; C[C@H](c1nc(c(o1)Br)c2 ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F; C[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c2oc(Br)c( n2)c3ccc(cc3)C(F)(F)F; C[CH](Oc1ccc(F)c( C(N)=O)c1F)c2oc(Br)c(n2)c3ccc(cc3)C(F)(F )F |
3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide |
| 49261 | ZI2 | 1 | C13 H24 N2 O7 | InChI=1S/C13H24N2O7/c1-7( 17)15-11-12(18)10(14)9(4- 16)22-13(11)21-6-8-5-19-2 -3-20-8/h8-13,16,18H,2-6, 14H2,1H3,(H,15,17)/t8-,9+ ,10+,11+,12-,13+/m0/s1; WHUIOPAZXMZGEJ-ZSIRSIGDSA-N |
CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O; CC( =O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[ CH]2COCCO2; CC(=O)N[C@@H]1[C@@H](O)[C@H] (N)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2; CC( =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[ C@@H]2COCCO2)CO)N)O; CC(=O)NC1C(O)C(N)C( CO)OC1OCC1COCCO1 |
[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside |
| 49262 | ZI3 | 3 | C22 H23 Cl N2 O3 | InChI=1S/C22H23ClN2O3/c1- 2-20(26)25-12-4-6-17-18(5 -3-7-19(17)25)21(27)24-22 (13-28-14-22)15-8-10-16(2 3)11-9-15/h3,5,7-11H,2,4, 6,12-14H2,1H3,(H,24,27); KBBNTEQRMWVNFG-UHFFFAOYSA-N |
CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc (Cl)cc4; CCC(=O)N1CCCc2c1cccc2C(=O)NC3(C OC3)c4ccc(cc4)Cl; O=C(NC1(COC1)c1ccc(Cl) cc1)c1cccc2N(CCCc21)C(=O)CC |
N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide |
| 49263 | ZI5 CHEMBL4208628 |
1 | C24 H41 N O2 | InChI=1S/C24H41NO2/c1-4-5 -6-12-15-18-22(2)19-16-13 -10-8-7-9-11-14-17-20-24( 27)25-23(3)21-26/h8-11,15 -16,18-19,22-23,26H,4-7,1 2-14,17,20-21H2,1-3H3,(H, 25,27)/b10-8-,11-9-,18-15 -,19-16-/t22-,23+/m0/s1; PDGRTYPSRMWVBI-MVYUADCHSA-N |
CCCCC\C=C/[C@H](C)\C=C/C/C=C\C\C=C/CCCC( =O)N[C@H](C)CO; CC(NC(=O)CCC/C=C\C/C=C\C \C=C/C(C)/C=C\CCCCC)CO; CCCCC/C=C\[C@H]( C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO; CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)NC(C)CO; CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(=O)N[CH]( C)CO |
(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide |
| 49264 | ZI6 CHEMBL3098779 ZINC000103234461 |
2 | C18 H10 Br F5 N2 O3 | InChI=1S/C18H10BrF5N2O3/c 19-16-15(8-1-3-9(4-2-8)18 (22,23)24)26-12(29-16)7-2 8-11-6-5-10(20)13(14(11)2 1)17(25)27/h1-6H,7H2,(H2, 25,27); ONGPJYSSZQHFBU-UHFFFAOYSA-N |
c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N) F)Br)C(F)(F)F; NC(=O)c1c(F)ccc(OCc2oc(Br )c(n2)c3ccc(cc3)C(F)(F)F)c1F |
3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide |
| 49265 | ZI7 CHEMBL3909654 |
1 | C15 H8 F5 N3 O2 S | InChI=1S/C15H8F5N3O2S/c16 -7-1-2-9(12(17)11(7)13(21 )24)25-5-10-23-8-3-6(15(1 8,19)20)4-22-14(8)26-10/h 1-4H,5H2,(H2,21,24); ZVALMTAWSBJQSN-UHFFFAOYSA-N |
c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C (=O)N)F; NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n 2)C(F)(F)F)c1F |
2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide |
| 49266 | ZI8 | 3 | C20 H21 Cl N2 O3 | InChI=1S/C20H21ClN2O3/c21 -16-5-3-15(4-6-16)20(12-2 6-13-20)22-19(25)14-1-7-1 7(8-2-14)23-10-9-18(24)11 -23/h1-8,18,24H,9-13H2,(H ,22,25)/t18-/m0/s1; XRPYHXDCSXOQDK-SFHVURJKSA-N |
O[C@H]1CCN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4 ccc(Cl)cc4; c1cc(ccc1C(=O)NC2(COC2)c3ccc (cc3)Cl)N4CCC(C4)O; c1cc(ccc1C(=O)NC2(CO C2)c3ccc(cc3)Cl)N4CC[C@@H](C4)O; O[CH]1C CN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4ccc(Cl)c c4; O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1) N1CCC(O)C1 |
N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide |
| 49267 | ZI9 | 1 | C16 H9 F2 N3 O2 S | InChI=1S/C16H9F2N3O2S/c1- 2-8-5-10-16(20-6-8)24-12( 21-10)7-23-11-4-3-9(17)13 (14(11)18)15(19)22/h1,3-6 H,7H2,(H2,19,22); SCUOMBYZGFZRIF-UHFFFAOYSA-N |
C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N )F; NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C )c1F |
3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide |
| 49268 | ZIA | 3 | C13 H22 N2 O7 | InChI=1S/C13H22N2O7/c1-6( 17)14-10-12(20)11(19)8(4- 16)22-13(10)21-5-7-2-3-9( 18)15-7/h7-8,10-13,16,19- 20H,2-5H2,1H3,(H,14,17)(H ,15,18)/t7-,8-,10-,11-,12 -,13-/m1/s1; KCXADKXCRNBSFF-IOJHDDLYSA-N |
CC(=O)NC1C(C(C(OC1OCC2CCC(=O)N2)CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1 OC[CH]2CCC(=O)N2; CC(=O)NC1C(O)C(O)C(CO) OC1OCC1CCC(=O)N1; CC(=O)N[C@@H]1[C@H]([C @@H]([C@H](O[C@H]1OC[C@H]2CCC(=O)N2)CO)O )O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H ](CO)O[C@H]1OC[C@H]2CCC(=O)N2 |
[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 49269 | ZIB CHEMBL5761526 |
1 | C22 H20 F3 N5 O4 | InChI=1S/C22H20F3N5O4/c23 -22(24,25)34-17-4-2-16(3- 5-17)33-12-20(31)29-8-14- 10-30(11-15(14)9-29)21(32 )13-1-6-18-19(7-13)27-28- 26-18/h1-7,14-15H,8-12H2, (H,26,27,28)/t14-,15-/m1/ s1; HVULMZFELFVBMC-HUUCEWRRSA-N |
c1cc(ccc1OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C (=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F; FC(F)( F)Oc1ccc(OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C (=O)c4ccc5[nH]nnc5c4)cc1; c1cc(ccc1OCC(= O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5) OC(F)(F)F; FC(F)(F)Oc1ccc(OCC(=O)N2C[CH] 3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1; FC(F)(F)Oc1ccc(cc1)OCC(=O)N1CC2CN(CC2C1) C(=O)c1cc2nn[NH]c2cc1 |
1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one |
| 49270 | ZID | 10 | C27 H30 N8 O15 P2 | InChI=1S/C27H30N8O15P2/c2 8-23-17-25(32-10-31-23)35 (11-33-17)27-22(40)20(38) 16(49-27)9-47-52(44,45)50 -51(42,43)46-8-15-19(37)2 1(39)26(48-15)34-6-3-13(1 4(7-34)24(29)41)18(36)12- 1-4-30-5-2-12/h1-7,10-11, 15-16,19-22,26-27,37-40H, 8-9H2,(H5-,28,29,31,32,41 ,42,43,44,45)/t15-,16-,19 -,20-,21-,22-,26-,27-/m1/ s1; SURAWYIAXPVHGO-XDBKRARRSA-N |
c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)C3C(C(C( O3)COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5 cnc6c5ncnc6N)O)O)O)O; c1cnccc1C(=O)c2cc[ n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H]( O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C @H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O )O; NC(=O)c1c[n+](ccc1C(=O)c2ccncc2)[C@@ H]3O[C@H](CO[P]([O-])(=O)O[P](O)(=O)OC[C @H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)nc nc56)[C@@H](O)[C@H]3O; NC(=O)c1c[n+](ccc 1C(=O)c2ccncc2)[CH]3O[CH](CO[P]([O-])(=O )O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n 5cnc6c(N)ncnc56)[CH](O)[CH]3O |
ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE |
| 49271 | ZIE ZINC000077311808 |
1 | C22 H31 N3 O13 | InChI=1S/C22H31N3O13/c1-9 (28)23-15-18(31)17(30)13( 7-26)36-22(15)38-20-14(8- 27)37-21(16(19(20)32)24-1 0(2)29)35-12-5-3-11(4-6-1 2)25(33)34/h3-6,13-22,26- 27,30-32H,7-8H2,1-2H3,(H, 23,28)(H,24,29)/t13-,14-, 15-,16-,17-,18-,19-,20-,2 1-,22+/m1/s1; HWBFEVWOQMUQIE-MVEDJEFUSA-N |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1 O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO) Oc3ccc(cc3)[N+]([O-])=O; CC(=O)NC1C(C(C( OC1OC2C(OC(C(C2O)NC(=O)C)Oc3ccc(cc3)[N+] (=O)[O-])CO)CO)O)O; CC(=O)N[C@@H]1[C@@H] (O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H] (O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)Oc3c cc(cc3)[N+]([O-])=O; CC(=O)NC1C(O)C(O)C( CO)OC1OC1C(CO)OC(Oc2ccc(cc2)[N+]([O-])=O )C(NC(C)=O)C1O; CC(=O)N[C@@H]1[C@H]([C@@ H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@ @H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[ O-])CO)CO)O)O |
4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside |
| 49272 | ZIF ZINC000002353947 |
1 | C18 H19 Cl N4 O | InChI=1S/C18H19ClN4O/c1-1 2-9-17(20-10-15-3-2-8-24- 15)23-18(22-12)16(11-21-2 3)13-4-6-14(19)7-5-13/h4- 7,9,11,15,20H,2-3,8,10H2, 1H3/t15-/m1/s1; OTWBEJZSLGHWCR-OAHLLOKOSA-N |
Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21; Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NCC4CCC O4; Cc1cc(NC[CH]2CCCO2)n3ncc(c4ccc(Cl)cc 4)c3n1; Cc1cc(NC[C@H]2CCCO2)n3ncc(c4ccc( Cl)cc4)c3n1; Cc1cc(n2c(n1)c(cn2)c3ccc(cc 3)Cl)NC[C@H]4CCCO4 |
(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine |
| 49273 | ZIG CHEMBL1236962 DB12703 ZINC000043208634 |
1 | C25 H17 F2 N5 O3 S | InChI=1S/C25H17F2N5O3S/c1 -35-25-23(32-36(33,34)24- 5-3-18(26)12-21(24)27)11- 17(13-29-25)15-2-4-22-20( 10-15)19(7-8-28-22)16-6-9 -30-31-14-16/h2-14,32H,1H 3; CGBJSGAELGCMKE-UHFFFAOYSA-N |
COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3cc c4nccc(c5ccnnc5)c4c3; COc1c(cc(cn1)c2ccc 3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc 5F)F |
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide |
| 49274 | ZIL ZINC000004535717 |
28 | C20 H30 N2 O5 | InChI=1S/C20H30N2O5/c1-5- 14(4)17(18(23)21-16(19(24 )25)11-13(2)3)22-20(26)27 -12-15-9-7-6-8-10-15/h6-1 0,13-14,16-17H,5,11-12H2, 1-4H3,(H,21,23)(H,22,26)( H,24,25)/t14-,16-,17-/m0/ s1; BSRAGXJNZJMFMY-XIRDDKMYSA-N |
O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC) CC(C)C; CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC (=O)OCc1ccccc1; CC[CH](C)[CH](NC(=O)OCc1 ccccc1)C(=O)N[CH](CC(C)C)C(O)=O; CC[C@H] (C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC( =O)OCc1ccccc1; CC[C@H](C)[C@H](NC(=O)OCc 1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |
N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine; Z-Ile-Leu |
| 49275 | ZIM ZINC000004856587 |
1 | C16 H16 Cl N3 O3 | InChI=1S/C16H16ClN3O3/c17 -12-4-1-2-5-13(12)18-16(2 2)20-9-7-19(8-10-20)15(21 )14-6-3-11-23-14/h1-6,11H ,7-10H2,(H,18,22); WXIMHLJBEWNBSA-UHFFFAOYSA-N |
Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3; O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1; c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3) Cl |
N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| 49276 | ZIN ZINC000044713556 |
3 | C15 H12 N2 O | InChI=1S/C15H12N2O/c18-15 -12(10-13-5-1-2-8-16-13)7 -6-11-4-3-9-17-14(11)15/h 1-9,18H,10H2; WLWQZKQFQNNCAP-UHFFFAOYSA-N |
Oc1c(Cc2ccccn2)ccc3cccnc13; Oc1c(ccc2ccc nc12)Cc3ncccc3; c1ccnc(c1)Cc2ccc3cccnc3c 2O |
7-(pyridin-2-ylmethyl)quinolin-8-ol |
| 49277 | ZIO | 4 | C35 H61 N O12 | InChI=1S/C35H61NO12/c1-16 -14-35(15-43-35)32(40)19( 4)27(37)18(3)22(7)46-33(4 1)21(6)31(47-26-13-25(42- 11)28(38)23(8)45-26)20(5) 30(16)48-34-29(39)24(36(9 )10)12-17(2)44-34/h16-31, 34,37-39H,12-15H2,1-11H3/ t16-,17+,18-,19+,20+,21+, 22+,23-,24-,25-,26-,27-,2 8-,29+,30-,31-,34-,35-/m0 /s1; RZPAKFUAFGMUPI-KGIGTXTPSA-N |
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[ C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]( [C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H] 4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O) C)C)O)N(C)C; CC1CC(C(C(O1)OC2C(CC3(CO3)C (=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C )O)OC)C)C)C)O)C)C)O)N(C)C; CO[CH]1C[CH]( O[CH](C)[CH]1O)O[CH]2[CH](C)[CH](O[CH]3O [CH](C)C[CH]([CH]3O)N(C)C)[CH](C)C[C]4(C O4)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(= O)[CH]2C; CO[C@H]1C[C@@H](O[C@@H](C)[C@@ H]1O)O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H ](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@] 4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@ @H](C)OC(=O)[C@@H]2C; O=C4C(C)C(O)C(C)C( OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2O C(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C |
(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE; OLEANDOMYCIN |
| 49278 | ZIP CHEMBL476189 DB08768 ZINC000000032351 |
7 | C10 H13 N5 | InChI=1S/C10H13N5/c1-7(2) 3-4-11-9-8-10(13-5-12-8)1 5-6-14-9/h3,5-6H,4H2,1-2H 3,(H2,11,12,13,14,15); HYVABZIGRDEKCD-UHFFFAOYSA-N |
n2c1c(ncn1)c(nc2)NC\C=C(/C)C; CC(=CCNc1c 2c([nH]cn2)ncn1)C; CC(C)=CCNc1ncnc2[nH]c nc12 |
N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE; ISOPENTENYLADENINE |
| 49279 | ZIQ ZINC000000039095 |
60 | C12 H14 N2 O2 | InChI=1S/C12H14N2O2/c1-12 (13,11(15)16)6-8-7-14-10- 5-3-2-4-9(8)10/h2-5,7,14H ,6,13H2,1H3,(H,15,16)/t12 -/m0/s1; ZTTWHZHBPDYSQB-LBPRGKRZSA-N |
C[C](N)(Cc1c[nH]c2ccccc12)C(O)=O; CC(Cc1 c[nH]c2c1cccc2)(C(=O)O)N; C[C@](Cc1c[nH] c2c1cccc2)(C(=O)O)N; C[C@](N)(Cc1c[nH]c2 ccccc12)C(O)=O; NC(C(O)=O)(Cc1cnc2c1cccc 2)C |
alpha-methyl-L-tryptophan |
| 49280 | ZIR CHEMBL452867 DB11933 ZINC000000057125 |
3 | C15 H21 N5 O4 | InChI=1S/C15H21N5O4/c1-8( 2)3-4-16-13-10-14(18-6-17 -13)20(7-19-10)15-12(23)1 1(22)9(5-21)24-15/h3,6-7, 9,11-12,15,21-23H,4-5H2,1 -2H3,(H,16,17,18)/t9-,11- ,12-,15-/m1/s1; USVMJSALORZVDV-SDBHATRESA-N |
CC(C)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[C H](O)[CH]3O; n2c1c(ncnc1n(c2)C3OC(C(O)C3 O)CO)NC\C=C(/C)C; CC(=CCNc1c2c(ncn1)n(cn 2)C3C(C(C(O3)CO)O)O)C; CC(=CCNc1c2c(ncn1 )n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O )O)C; CC(C)=CCNc1ncnc2n(cnc12)[C@@H]3O[C @H](CO)[C@@H](O)[C@H]3O |
N-(3-methylbut-2-en-1-yl)adenosine |
| 49281 | ZIS | 1 | C24 H27 F4 N5 O4 | InChI=1S/C24H27F4N5O4/c25 -18-10-17(37-14-24(26,27) 28)3-1-16(18)11-36-22(35) 32-7-5-23(6-8-32)12-33(13 -23)21(34)15-2-4-19-20(9- 15)30-31-29-19/h1,3,10,15 H,2,4-9,11-14H2,(H,29,30, 31)/t15-/m1/s1; HFJGRHYPTCNSKW-OAHLLOKOSA-N |
FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3) C(=O)C2CCc3[NH]nnc3C2)c(F)c1; c1cc(c(cc1 OCC(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(= O)C4CCc5c(nn[nH]5)C4; Fc1cc(OCC(F)(F)F)c cc1COC(=O)N2CCC3(CC2)CN(C3)C(=O)[C@@H]4C Cc5[nH]nnc5C4; c1cc(c(cc1OCC(F)(F)F)F)CO C(=O)N2CCC3(CC2)CN(C3)C(=O)[C@@H]4CCc5c( nn[nH]5)C4; Fc1cc(OCC(F)(F)F)ccc1COC(=O) N2CCC3(CC2)CN(C3)C(=O)[CH]4CCc5[nH]nnc5C 4 |
[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate |
| 49282 | ZIT CHEMBL529 DB00207 ZINC000085537026 |
10 | C38 H72 N2 O12 | InChI=1S/C38H72N2O12/c1-1 5-27-38(10,46)31(42)24(6) 40(13)19-20(2)17-36(8,45) 33(52-35-29(41)26(39(11)1 2)16-21(3)48-35)22(4)30(2 3(5)34(44)50-27)51-28-18- 37(9,47-14)32(43)25(7)49- 28/h20-33,35,41-43,45-46H ,15-19H2,1-14H3/t20-,21-, 22+,23-,24-,25+,26+,27-,2 8+,29-,30+,31-,32+,33-,35 +,36-,37-,38-/m1/s1; MQTOSJVFKKJCRP-BICOPXKESA-N |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@ @](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@ @H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C )C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@ H](O)[C@]1(C)O; O=C3OC(CC)C(O)(C)C(O)C(N (C)CC(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C (C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C; CC[CH ]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH ](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C) C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)CN(C )[CH](C)[CH](O)[C]1(C)O; CCC1C(C(C(N(CC( CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C )OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C) O)(C)O; CC[C@@H]1[C@@]([C@@H]([C@H]([N@@ ](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@ H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H]( O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H ](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O |
AZITHROMYCIN |
| 49283 | ZIV | 0 | C26 H39 N12 O12 P | InChI=1S/C26H39N12O12P/c2 7-10(25(44)45)1-2-35(5-11 -15(39)17(41)23(49-11)37- 8-32-13-19(28)30-7-31-20( 13)37)3-4-36-9-38(21-14(3 6)22(43)34-26(29)33-21)24 -18(42)16(40)12(50-24)6-4 8-51(46)47/h7-8,10-12,15- 18,23-24,39-42,46,51H,1-6 ,9,27H2,(H,44,45)(H2,28,3 0,31)(H3,29,33,34,43)/q-1 /t10-,11+,12+,15+,16-,17+ ,18+,23+,24+/m0/s1; QKJZWHZELYFDJK-PBBDAFOISA-N |
N[CH](CCN(CCN1CN([CH]2O[CH](CO[PH]([OH-] )=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3)C[C H]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56) C(O)=O; O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)nc nc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O )C=2NC(N)=NC(=O)C1=2; N[C@@H](CCN(CCN1CN ([C@@H]2O[C@H](CO[PH]([OH-])=O)[C@H](O)[ C@H]2O)C3=C1C(=O)N=C(N)N3)C[C@H]4O[C@H]( [C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)C(O)=O ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C( =O)O)N)CCN4CN(C5=C4C(=O)N=C(N5)N)C6C(C(C (O6)COP(=O)[OH-])O)O)O)O)N; c1nc(c2c(n1) n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC [C@@H](C(=O)O)N)CCN4CN(C5=C4C(=O)N=C(N5) N)[C@H]6[C@@H]([C@H]([C@H](O6)COP(=O)[OH -])O)O)O)O)N |
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid |
| 49284 | ZIW | 1 | C18 H19 Cl N4 O3 S | InChI=1S/C18H19ClN4O3S/c1 9-14-2-1-11-4-15(5-12(11) 3-14)21-18-20-6-13-7-23(8 -17(13)22-18)27(24,25)16- 9-26-10-16/h1-3,6,15-16H, 4-5,7-10H2,(H,20,21,22)/t 15-/m0/s1; MGCMXBWEEHFPAH-HNNXBMFYSA-N |
Clc1ccc2C[C@@H](Cc2c1)Nc3ncc4CN(Cc4n3)[S ](=O)(=O)C5COC5; c1cc2c(cc1Cl)C[C@H](C2) Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5; Clc1c cc2C[CH](Cc2c1)Nc3ncc4CN(Cc4n3)[S](=O)(= O)C5COC5; c1cc2c(cc1Cl)CC(C2)Nc3ncc4c(n3 )CN(C4)S(=O)(=O)C5COC5; O=S(=O)(N1Cc2nc( NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1 |
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
| 49285 | ZIY CHEMBL451930 DB04977 |
2 | C57 H87 N7 O15 | InChI=1S/C57H87N7O15/c1-1 5-33(8)46-44(66)29-45(67) 79-49(32(6)7)48(68)34(9)5 0(69)58-39(26-30(2)3)54(7 3)64-25-17-19-41(64)56(75 )62(13)43(28-37-20-22-38( 77-14)23-21-37)57(76)78-3 6(11)47(52(71)59-46)60-51 (70)42(27-31(4)5)61(12)55 (74)40-18-16-24-63(40)53( 72)35(10)65/h20-23,30-34, 36,39-44,46-47,49,66H,15- 19,24-29H2,1-14H3,(H,58,6 9)(H,59,71)(H,60,70)/t33- ,34-,36+,39-,40-,41-,42+, 43-,44-,46+,47-,49-/m0/s1; UUSZLLQJYRSZIS-LXNNNBEUSA-N |
CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H ](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)= O)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C )C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(= O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C (C)C; CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC( C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)N C(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O) C)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O; CC [C@H](C)[C@@H]1C(CC(=O)O[C@H](C(=O)[C@@H ](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@ H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@ @H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(= O)C)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O; CC[CH](C)[CH]1NC(=O)[CH](NC(=O)[CH](CC(C )C)N(C)C(=O)[CH]2CCCN2C(=O)C(C)=O)[CH](C )OC(=O)[CH](Cc3ccc(OC)cc3)N(C)C(=O)[CH]4 CCCN4C(=O)[CH](CC(C)C)NC(=O)[CH](C)C(=O) [CH](OC(=O)C[CH]1O)C(C)C; CC(=O)C(=O)N1C CCC1C(=O)N(C)C(CC(C)C)C(=O)NC1C(=O)NC(C( O)CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C )C(=O)N2CCCC2C(=O)N(C)C(Cc2ccc(OC)cc2)C( =O)OC1C)C(C)CC |
plitidepsin |
| 49286 | ZIZ | 14 | C15 H21 I3 N6 O6 | InChI=1S/C15H21I3N6O6/c16 -1-10(25)19-4-13(28)22-7- 23(14(29)5-20-11(26)2-17) 9-24(8-22)15(30)6-21-12(2 7)3-18/h1-9H2,(H,19,25)(H ,20,26)(H,21,27); NQXMSMNRHYWXDM-UHFFFAOYSA-N |
ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI) C(=O)CNC(=O)CI; C1N(CN(CN1C(=O)CNC(=O)CI )C(=O)CNC(=O)CI)C(=O)CNC(=O)CI |
N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide |
| 49287 | ZJ0 | 1 | C18 H28 O3 | InChI=1S/C18H28O3/c1-4-5- 6-7-8-9-10-11-18(19)15-12 -16(20-2)14-17(13-15)21-3 /h12-14H,4-11H2,1-3H3; YVSIRBTWQSGOBH-UHFFFAOYSA-N |
CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC; CCCCCCCC CC(=O)c1cc(OC)cc(OC)c1; O=C(c1cc(OC)cc(O C)c1)CCCCCCCCC |
1-(3,5-dimethoxyphenyl)decan-1-one |
| 49288 | ZJ1 | 1 | C25 H35 N3 O3 S | InChI=1S/C25H35N3O3S/c1-5 -32(30,31)28(22-15-13-20( 14-16-22)25(2,3)4)23(19-1 0-9-17-26-18-19)24(29)27- 21-11-7-6-8-12-21/h9-10,1 3-18,21,23H,5-8,11-12H2,1 -4H3,(H,27,29)/t23-/m1/s1; ZCSLMPKXGXMPHB-HSZRJFAPSA-N |
CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2 cccnc2)C(=O)NC3CCCCC3; CC[S](=O)(=O)N([C H](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C )(C)C; CC[S](=O)(=O)N([C@@H](C(=O)NC1CCC CC1)c2cccnc2)c3ccc(cc3)C(C)(C)C; CC(C)(C )c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S (=O)(=O)CC; CCS(=O)(=O)N(c1ccc(cc1)C(C)( C)C)C(c2cccnc2)C(=O)NC3CCCCC3 |
(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide |
| 49289 | ZJ2 CHEMBL5434511 |
1 | C24 H19 N7 O | InChI=1S/C24H19N7O/c1-15- 10-18(4-3-9-25)11-16(2)22 (15)31-14-21(32)29-20-13- 27-24(30-23(20)31)28-19-7 -5-17(12-26)6-8-19/h3-8,1 0-11,13H,14H2,1-2H3,(H,29 ,32)(H,27,28,30)/b4-3+; QRFWWEONRMHITJ-ONEGZZNKSA-N |
Cc1cc(cc(c1N2CC(=O)Nc3c2nc(nc3)Nc4ccc(cc 4)C#N)C)C=CC#N; Cc1cc(/C=C/C#N)cc(C)c1N2 CC(=O)Nc3cnc(Nc4ccc(cc4)C#N)nc23; N#Cc1c cc(cc1)Nc1ncc2NC(=O)CN(c2n1)c1c(C)cc(\C= C\C#N)cc1C; Cc1cc(C=CC#N)cc(C)c1N2CC(=O) Nc3cnc(Nc4ccc(cc4)C#N)nc23; Cc1cc(cc(c1N 2CC(=O)Nc3c2nc(nc3)Nc4ccc(cc4)C#N)C)/C=C /C#N |
4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile |
| 49290 | ZJ3 | 2 | C25 H26 F3 N5 O16 P2 | InChI=1S/C25H26F3N5O16P2/ c26-25(27,28)11-4-15(34)4 6-12-3-9(1-2-10(11)12)45- 24-20(38)18(36)14(48-24)6 -44-51(41,42)49-50(39,40) 43-5-13-17(35)19(37)23(47 -13)33-8-32-16-21(29)30-7 -31-22(16)33/h1-4,7-8,13- 14,17-20,23-24,35-38H,5-6 H2,(H,39,40)(H,41,42)(H2, 29,30,31)/t13-,14-,17-,18 -,19-,20-,23-,24+/m1/s1; JNMHMJORTGCLAH-IPSZZCKZSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(= O)O[P](O)(=O)OC[C@H]4O[C@H](Oc5ccc6c(OC( =O)C=C6C(F)(F)F)c5)[C@H](O)[C@@H]4O)[C@@ H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH] (CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](Oc5 ccc6c(OC(=O)C=C6C(F)(F)F)c5)[CH](O)[CH]4 O)[CH](O)[CH]3O; c1cc2c(cc1O[C@@H]3[C@@H ]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[ C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc 6N)O)O)O)O)OC(=O)C=C2C(F)(F)F; c1cc2c(cc 1OC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C( C(O4)n5cnc6c5ncnc6N)O)O)O)O)OC(=O)C=C2C( F)(F)F; Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP( =O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)( F)F)C(O)C2O)C(O)C1O |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate |
| 49291 | ZJ4 CHEMBL5081858 |
1 | C13 H12 O2 S | InChI=1S/C13H12O2S/c1-8-4 -3-5-9(2)12(8)10-6-7-11(1 6-10)13(14)15/h3-7H,1-2H3 ,(H,14,15); OIKZRFRQYNLPMK-UHFFFAOYSA-N |
Cc1cccc(c1c2ccc(s2)C(=O)O)C; Cc1cccc(C)c 1c2sc(cc2)C(O)=O; OC(=O)c1ccc(s1)c1c(C)c ccc1C |
5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid |
| 49292 | ZJ5 | 1 | C9 H13 B N O5 S | InChI=1S/C9H13BNO5S/c1-17 (14,15)11-6-9-7-4-2-3-5-8 (7)10(12,13)16-9/h2-5,9,1 1-13H,6H2,1H3/t9-/m0/s1; GHGXSIOIQUNTKP-VIFPVBQESA-N |
B1(c2ccccc2C(O1)CNS(=O)(=O)C)(O)O; C[S]( =O)(=O)NC[CH]1O[B](O)(O)c2ccccc12; B1(c2 ccccc2[C@@H](O1)CNS(=O)(=O)C)(O)O; C[S]( =O)(=O)NC[C@@H]1O[B](O)(O)c2ccccc12 |
~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide |
| 49293 | ZJ7 CHEMBL5090353 |
3 | C14 H14 O2 S | InChI=1S/C14H14O2S/c1-8-6 -9(2)13(10(3)7-8)11-4-5-1 2(17-11)14(15)16/h4-7H,1- 3H3,(H,15,16); KRVQNZWUCJAZTJ-UHFFFAOYSA-N |
OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C; Cc1cc(c( c(c1)C)c2ccc(s2)C(=O)O)C; Cc1cc(C)c(c(C) c1)c2sc(cc2)C(O)=O |
5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid |
| 49294 | ZJ8 | 1 | C13 H19 N3 O3 | InChI=1S/C13H19N3O3/c1-2- 5-14-13(18)16-8-6-15(7-9- 16)12(17)11-4-3-10-19-11/ h3-4,10H,2,5-9H2,1H3,(H,1 4,18); DORIINNMIBLCHO-UHFFFAOYSA-N |
CCCNC(=O)N1CCN(CC1)C(=O)c2ccco2; CCCNC(= O)N1CCN(CC1)C(=O)c2occc2; O=C(N1CCN(CC1) C(=O)NCCC)c1ccco1 |
4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide |
| 49295 | ZJ9 CHEMBL4752253 |
1 | C22 H21 N3 O4 | InChI=1S/C22H21N3O4/c1-25 (2)22(28)16-9-7-14(11-19( 16)26)20-12-18(24-29-20)2 1(27)23-17-10-8-13-5-3-4- 6-15(13)17/h3-7,9,11-12,1 7,26H,8,10H2,1-2H3,(H,23, 27)/t17-/m1/s1; IXWUILRSNIQHDM-QGZVFWFLSA-N |
CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[C@@ H]3CCc4ccccc34; CN(C)C(=O)c1ccc(cc1O)c2c c(no2)C(=O)N[C@@H]3CCc4c3cccc4; CN(C)C(= O)c1ccc(cc1O)c2cc(no2)C(=O)NC3CCc4c3cccc 4; CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[ CH]3CCc4ccccc34 |
~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
| 49296 | ZJA CHEMBL1589861 ZINC000013814819 |
1 | C12 H10 O2 S | InChI=1S/C12H10O2S/c1-8-4 -2-3-5-9(8)10-6-7-11(15-1 0)12(13)14/h2-7H,1H3,(H,1 3,14); BSOIGQKKGJNDJD-UHFFFAOYSA-N |
Cc1ccccc1c2sc(cc2)C(O)=O; Cc1ccccc1c2ccc (s2)C(=O)O; OC(=O)c1ccc(s1)c1ccccc1C |
5-(2-methylphenyl)thiophene-2-carboxylic acid |
| 49297 | ZJB CHEMBL331237 DB12405 ZINC000003808299 |
3 | C13 H16 N6 O4 | InChI=1S/C13H16N6O4/c1-18 -11-7-5(10(14)17-18)2-19( 12(7)16-4-15-11)13-9(22)8 (21)6(3-20)23-13/h2,4,6,8 -9,13,20-22H,3H2,1H3,(H2, 14,17)/t6-,8-,9-,13-/m1/s 1; HOGVTUZUJGHKPL-HTVVRFAVSA-N |
CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3 O)c4ncnc1c24; CN1c2c3c(cn(c3ncn2)[C@H]4[ C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N; CN 1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1 )N; CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H ](O)[C@H]3O)c4ncnc1c24 |
(2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL |
| 49298 | ZJD CHEMBL5077000 |
1 | C13 H12 O2 S | InChI=1S/C13H12O2S/c1-2-9 -5-3-4-6-10(9)11-7-8-12(1 6-11)13(14)15/h3-8H,2H2,1 H3,(H,14,15); MVIOXXJJRFAADN-UHFFFAOYSA-N |
CCc1ccccc1c2ccc(s2)C(=O)O; OC(=O)c1ccc(s 1)c1ccccc1CC; CCc1ccccc1c2sc(cc2)C(O)=O |
5-(2-ethylphenyl)thiophene-2-carboxylic acid |
| 49299 | ZJE | 1 | C15 H21 N3 O3 S | InChI=1S/C15H21N3O3S/c19- 14(13-4-2-10-22-13)17-5-7 -18(8-6-17)15(20)16-11-12 -3-1-9-21-12/h2,4,10,12H, 1,3,5-9,11H2,(H,16,20)/t1 2-/m0/s1; IFBUPEBQECKOCS-LBPRGKRZSA-N |
O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1; c1 cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CCCO3; O= C(NC[CH]1CCCO1)N2CCN(CC2)C(=O)c3sccc3; O =C(NC[C@H]1CCCO1)N2CCN(CC2)C(=O)c3sccc3; c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NC[C@H]3CC CO3 |
N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| 49300 | ZJF CHEMBL5416331 |
1 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c19-1 3-7-3-6-12(8-13)18-9-14(1 6-10-18)15(20)17-11-4-1-2 -5-11/h3,6-11,19H,1-2,4-5 H2,(H,17,20); AQKIQKNFSLFVDF-UHFFFAOYSA-N |
Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3; c1cc( cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3 |
~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide |
| 49301 | ZJG | 2 | C37 H48 N6 O9 S | InChI=1S/C37H48N6O9S/c1-2 2-32(39-29-18-25(50-3)14- 15-27(29)38-22)51-26-19-3 0-31(44)41-37(34(46)42-53 (48,49)36(2)16-17-36)20-2 3(37)10-7-5-4-6-8-13-28(3 3(45)43(30)21-26)40-35(47 )52-24-11-9-12-24/h7,10,1 4-15,18,23-24,26,28,30H,4 -6,8-9,11-13,16-17,19-21H 2,1-3H3,(H,40,47)(H,41,44 )(H,42,46)/b10-7-/t23-,26 -,28+,30+,37-/m1/s1; ZHHNNRKFJHSDBT-GDWKAFJFSA-N |
Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C =CCCCCCC(C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS (=O)(=O)C7(CC7)C; CC1(CC1)S(=O)(=O)NC(=O )C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C (=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1; Cc1c(n c2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@ ]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC( =O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C; COc1 ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CC CCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O) C6(C)CC6)NC(=O)OC7CCC7)nc2c1; COc1ccc2nc (C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCC CC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O) (=O)C6(C)CC6)NC(=O)OC7CCC7)nc2c1 |
cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49302 | ZJI ZINC000036178937 |
1 | C13 H17 N3 O3 | InChI=1S/C13H17N3O3/c17-1 2(11-2-1-9-19-11)15-5-7-1 6(8-6-15)13(18)14-10-3-4- 10/h1-2,9-10H,3-8H2,(H,14 ,18); XDMLFKCHHBCVAB-UHFFFAOYSA-N |
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NC3CC3; O=C (N1CCN(CC1)C(=O)NC1CC1)c1ccco1; O=C(NC1C C1)N2CCN(CC2)C(=O)c3occc3 |
N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| 49303 | ZJJ | 2 | C37 H46 F2 N6 O9 S | InChI=1S/C37H46F2N6O9S/c1 -21-31(41-28-15-23(52-3)1 1-12-26(28)40-21)53-24-16 -29-30(46)43-37(33(48)44- 55(50,51)35(2)13-14-35)17 -22(37)9-7-5-4-6-8-10-27( 32(47)45(29)20-24)42-34(4 9)54-25-18-36(38,39)19-25 /h7,9,11-12,15,22,24-25,2 7,29H,4-6,8,10,13-14,16-2 0H2,1-3H3,(H,42,49)(H,43, 46)(H,44,48)/b9-7-/t22-,2 4-,27+,29+,37-/m1/s1; GNPRLAOVQQDDAJ-SKXVKYEHSA-N |
CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4 nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC( F)(F)C3)CCCCCC=CC2C1; Cc1c(nc2cc(ccc2n1) OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3 )NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(C C7)C; COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C( =O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[ S](=O)(=O)C6(C)CC6)NC(=O)OC7CC(F)(F)C7)n c2c1; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H ]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C (=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O) (=O)C7(CC7)C; COc1ccc2nc(C)c(O[C@@H]3C[C @@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[ C@]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC( =O)OC7CC(F)(F)C7)nc2c1 |
3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49304 | ZJK | 2 | C27 H27 N4 O3 Ru2 | InChI=1S/2C13H12N2.CH2O2. H2O.2Ru/c2*1-3-7-12(8-4-1 )14-11-15-13-9-5-2-6-10-1 3;2-1-3;;;/h2*1-10H,11H2; 1H2;1H2;;/q3*-2;;+3;+4/p- 1; CVAAOOFKUNUXPY-UHFFFAOYSA-M |
c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc 5)c6ccccc6)OCO4)O)c7ccccc7; O[Ru]12OCO[R u](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5) c6ccccc6 |
1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
| 49305 | ZJM | 2 | C38 H49 F N6 O9 S | InChI=1S/C38H49FN6O9S/c1- 22-33(41-29-18-24(52-3)14 -15-27(29)40-22)53-25-19- 30-32(46)43-38(35(48)44-5 5(50,51)37(2)16-17-37)20- 23(38)10-7-5-4-6-8-12-28( 34(47)45(30)21-25)42-36(4 9)54-31-13-9-11-26(31)39/ h7,10,14-15,18,23,25-26,2 8,30-31H,4-6,8-9,11-13,16 -17,19-21H2,1-3H3,(H,42,4 9)(H,43,46)(H,44,48)/b10- 7-/t23-,25-,26-,28+,30+,3 1-,38-/m1/s1; TURVLKLYHQZYDB-LRIBJDGDSA-N |
COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(= O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[C@@H]7CCC [C@H]7F)nc2c1; COc1ccc2nc(C)c(O[CH]3C[CH ]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4= O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH]7 CCC[CH]7F)nc2c1; CC1(CC1)S(=O)(=O)NC(=O) C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C( =O)C(NC(=O)OC3CCCC3F)CCCCCC=CC2C1; Cc1c( nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@ @]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC (=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7 (CC7)C; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O) NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC 6F)C(=O)NS(=O)(=O)C7(CC7)C |
(1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49306 | ZJN | 1 | C27 H29 N5 O4 | InChI=1S/C27H29N5O4/c33-2 5(28-29-27(35)31-14-12-30 (13-15-31)26(34)24-11-6-1 6-36-24)23-17-21-9-4-5-10 -22(21)19-32(23)18-20-7-2 -1-3-8-20/h1-11,16,23H,12 -15,17-19H2,(H,28,33)(H,2 9,35)/t23-/m0/s1; ZZFWUIHEKSLIOC-QHCPKHFHSA-N |
O=C(NNC(=O)N1CCN(CC1)C(=O)c2occc2)[CH]3C c4ccccc4CN3Cc5ccccc5; O=C(N1CCN(CC1)C(=O )NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1; c1ccc(cc1)CN2Cc3ccccc3C[C@H]2C(=O)NNC(= O)N4CCN(CC4)C(=O)c5ccco5; c1ccc(cc1)CN2C c3ccccc3CC2C(=O)NNC(=O)N4CCN(CC4)C(=O)c5 ccco5; O=C(NNC(=O)N1CCN(CC1)C(=O)c2occc2 )[C@@H]3Cc4ccccc4CN3Cc5ccccc5 |
(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
| 49307 | ZJO | 1 | C26 H25 N4 O Ru2 | InChI=1S/2C13H12N2.H2O.2R u/c2*1-3-7-12(8-4-1)14-11 -15-13-9-5-2-6-10-13;;;/h 2*1-10H,11H2;1H2;;/q2*-2; ;+2;+3/p-1; PDMORHSIDGQFCT-UHFFFAOYSA-M |
c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4) c5ccccc5)O)c6ccccc6; O[Ru]1N(CN([Ru]N(CN 1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5 |
1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane |
| 49308 | ZJP CHEMBL4076862 |
1 | C38 H50 N6 O9 S | InChI=1S/C38H50N6O9S/c1-2 3-33(40-30-19-26(51-3)15- 16-28(30)39-23)52-27-20-3 1-32(45)42-38(35(47)43-54 (49,50)37(2)17-18-37)21-2 4(38)11-7-5-4-6-8-14-29(3 4(46)44(31)22-27)41-36(48 )53-25-12-9-10-13-25/h7,1 1,15-16,19,24-25,27,29,31 H,4-6,8-10,12-14,17-18,20 -22H2,1-3H3,(H,41,48)(H,4 2,45)(H,43,47)/b11-7-/t24 -,27-,29+,31+,38-/m1/s1; AWCLTDQQVULZEM-UIWVBJMMSA-N |
Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O )N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4 C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7(CC7) C; COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O) [CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S]( =O)(=O)C6(C)CC6)NC(=O)OC7CCCC7)nc2c1; CO c1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[ C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O) N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CCCC7)nc2c 1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(C C5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(= O)NS(=O)(=O)C7(CC7)C; CC1(CC1)S(=O)(=O)N C(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C) CN3C(=O)C(NC(=O)OC3CCCC3)CCCCCC=CC2C1 |
cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49309 | ZJR | 1 | C13 H15 N3 O3 | InChI=1S/C13H15N3O3/c1-2- 5-14-13(18)16-8-6-15(7-9- 16)12(17)11-4-3-10-19-11/ h1,3-4,10H,5-9H2,(H,14,18 ); UBZBLIGDRVMKLZ-UHFFFAOYSA-N |
C#CCNC(=O)N1CCN(CC1)C(=O)c2ccco2; O=C(NC C#C)N1CCN(CC1)C(=O)c2occc2; O=C(N1CCN(CC 1)C(=O)NCC#C)c1ccco1 |
4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide |
| 49310 | ZJS | 0 | C15 H22 N5 O7 P | InChI=1S/C15H22N5O7P/c1-8 (2)3-4-16-13-10-14(18-6-1 7-13)20(7-19-10)15-12(22) 11(21)9(27-15)5-26-28(23, 24)25/h3,6-7,9,11-12,15,2 1-22H,4-5H2,1-2H3,(H,16,1 7,18)(H2,23,24,25)/t9-,11 -,12-,15-/m1/s1; DUISZFLWBAPRBR-SDBHATRESA-N |
C/C(C)=C\CNc1ncnc2c1ncn2C1OC(COP(=O)(O)O )C(O)C1O; CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3 [C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C ; CC(C)=CCNc1ncnc2n(cnc12)[C@@H]3O[C@H]( CO[P](O)(O)=O)[C@@H](O)[C@H]3O; CC(C)=CC Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O )[CH](O)[CH]3O; CC(=CCNc1c2c(ncn1)n(cn2) C3C(C(C(O3)COP(=O)(O)O)O)O)C |
N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) |
| 49311 | ZJT CHEMBL5569646 |
1 | C13 H9 F O2 S | InChI=1S/C13H9FO2S/c14-9- 3-4-10-7(5-9)1-2-8-6-11(1 3(15)16)17-12(8)10/h3-6H, 1-2H2,(H,15,16); JJZNTNSOGADPIT-UHFFFAOYSA-N |
OC(=O)c1sc2c(CCc3cc(F)ccc23)c1; O=C(O)c1 cc2CCc3cc(F)ccc3c2s1; c1cc-2c(cc1F)CCc3c 2sc(c3)C(=O)O |
(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
| 49312 | ZJU CHEMBL594235 |
0 | C8 H11 N O7 | InChI=1S/C8H11NO7/c10-5(1 -2-6(11)12)9-4(8(15)16)3- 7(13)14/h4H,1-3H2,(H,9,10 )(H,11,12)(H,13,14)(H,15, 16)/t4-/m0/s1; YTMGDVQAVPGKLG-BYPYZUCNSA-N |
OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O; OC(=O )CCC(=O)N[C@@H](CC(O)=O)C(O)=O; C(CC(=O) O)C(=O)NC(CC(=O)O)C(=O)O |
N-SUCCINYL-ASPARTIC ACID; 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid |
| 49313 | ZJV | 2 | C36 H45 F3 N6 O9 S | InChI=1S/C36H45F3N6O9S/c1 -20-30(41-27-16-23(52-4)1 2-13-25(27)40-20)54-24-17 -28-29(46)43-35(32(48)44- 55(50,51)34(3)14-15-34)18 -22(35)10-8-6-5-7-9-11-26 (31(47)45(28)19-24)42-33( 49)53-21(2)36(37,38)39/h8 ,10,12-13,16,21-22,24,26, 28H,5-7,9,11,14-15,17-19H 2,1-4H3,(H,42,49)(H,43,46 )(H,44,48)/b10-8-/t21-,22 +,24+,26-,28-,35+/m0/s1; RTCPQVJDZHADDP-NOIRXTOFSA-N |
COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(= O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[C@@H](C)C (F)(F)F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3C C4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O) OC(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C; C c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O) N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C 3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(= O)C6(CC6)C; COc1ccc2nc(C)c(O[CH]3C[CH]4N (C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C (=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O[CH](C)C (F)(F)F)nc2c1; CC1(CC1)S(=O)(=O)NC(=O)C1 2NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O )C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1 |
(2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49314 | ZJW | 1 | C17 H24 N6 O2 S | InChI=1S/C17H24N6O2S/c1-3 -15-20-19-12-23(15)7-6-18 -17(25)22-10-8-21(9-11-22 )16(24)14-5-4-13(2)26-14/ h4-5,12H,3,6-11H2,1-2H3,( H,18,25); NDWRURYPGARNEW-UHFFFAOYSA-N |
CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O)c3ccc(s3 )C; Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1c nnc1CC; CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O) c3sc(C)cc3 |
N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide |
| 49315 | ZJX CHEMBL4776940 |
2 | C17 H18 Cl F N6 | InChI=1S/C17H18ClFN6/c1-1 7(20)5-7-25(8-6-17)12-9-2 1-15-14(23-24-16(15)22-12 )10-3-2-4-11(18)13(10)19/ h2-4,9H,5-8,20H2,1H3,(H,2 2,23,24); QROQTLNVCIGXBV-UHFFFAOYSA-N |
CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c 4F)n2; CC1(N)CCN(CC1)c1nc2[NH]nc(c2nc1)c 1cccc(Cl)c1F; CC1(CCN(CC1)c2cnc3c(n[nH]c 3n2)c4cccc(c4F)Cl)N |
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
| 49316 | ZJY | 2 | C38 H47 F3 N6 O9 S | InChI=1S/C38H47F3N6O9S/c1 -22-31(43-28-17-24(54-3)1 1-12-26(28)42-22)56-25-18 -29-30(48)45-37(33(50)46- 57(52,53)35(2)13-14-35)19 -23(37)9-7-5-4-6-8-10-27( 32(49)47(29)20-25)44-34(5 1)55-21-36(15-16-36)38(39 ,40)41/h7,9,11-12,17,23,2 5,27,29H,4-6,8,10,13-16,1 8-21H2,1-3H3,(H,44,51)(H, 45,48)(H,46,50)/b9-7-/t23 -,25-,27+,29+,37-/m1/s1; OIRPWGZAWBASNA-RVJOZYONSA-N |
Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O )N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4 C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(= O)C7(CC7)C; CC1(CC1)S(=O)(=O)NC(=O)C12NC (=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C( NC(=O)OCC3(CC3)C(F)(F)F)CCCCCC=CC2C1; CO c1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH]( CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(= O)C6(C)CC6)NC(=O)OCC7(CC7)C(F)(F)F)nc2c1 ; COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C( =O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C (=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OCC7(CC7) C(F)(F)F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3 CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O )OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7 )C |
[1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49317 | ZJZ | 1 | C14 H12 Cl N4 Pt S | InChI=1S/C14H12ClN4S.Pt/c 15-10-6-7-12(16)11(8-10)1 3(18-19-14(17)20)9-4-2-1- 3-5-9;/h1-4,6-8H,16H2,(H3 ,17,19,20);/b18-13-;; QEUVFWYAJJGIQM-AAKIMCHBSA-N |
c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(c cc4N)Cl; NC(=S)NN=C(c1cc(Cl)ccc1N)c2cccc c2[Pt] |
7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine |
| 49318 | ZK0 | 1 | C21 H30 N4 O2 | InChI=1S/C21H30N4O2/c1-14 -21(5,6)16-13-15(7-8-17(1 6)22-14)18(26)24-9-11-25( 12-10-24)19(27)23-20(2,3) 4/h7-8,13H,9-12H2,1-6H3,( H,23,27); ZJOHJOMXKQVDCT-UHFFFAOYSA-N |
O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C )C(C)(C)c2c1; CC1=Nc2ccc(cc2C1(C)C)C(=O) N3CCN(CC3)C(=O)NC(C)(C)C |
N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide |
| 49319 | ZK1 CHEMBL19892 DB12393 ZINC000002004553 |
169 | C14 H15 F3 N3 O6 P | InChI=1S/C14H15F3N3O6P/c1 5-14(16,17)8-5-9-11(6-10( 8)19-1-3-26-4-2-19)20(7-2 7(23,24)25)13(22)12(21)18 -9/h5-6H,1-4,7H2,(H,18,21 )(H2,23,24,25); WZMQMKNCWDCCMT-UHFFFAOYSA-N |
O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3C COCC3)C(F)(F)F; c1c(c(cc2c1NC(=O)C(=O)N2 CP(=O)(O)O)N3CCOCC3)C(F)(F)F |
{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid; [[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid |
| 49320 | ZK2 ZINC000000896724 |
0 | C8 H10 O | InChI=1S/C8H10O/c1-7-4-2- 3-5-8(7)6-9/h2-5,9H,6H2,1 H3; XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
Cc1ccccc1CO | (2-methylphenyl)methanol |
| 49321 | ZK4 | 2 | C40 H51 F3 N6 O9 S | InChI=1S/C40H51F3N6O9S/c1 -23-34(45-30-19-26(56-3)1 5-16-28(30)44-23)57-27-20 -31-33(50)47-39(36(52)48- 59(54,55)38(2)17-18-38)21 -25(39)13-7-5-4-6-8-14-29 (35(51)49(31)22-27)46-37( 53)58-32(40(41,42)43)24-1 1-9-10-12-24/h7,13,15-16, 19,24-25,27,29,31-32H,4-6 ,8-12,14,17-18,20-22H2,1- 3H3,(H,46,53)(H,47,50)(H, 48,52)/b13-7-/t25-,27-,29 +,31+,32-,39-/m1/s1; NIVLDUFKSNQSFW-FKWQUPSWSA-N |
COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH ](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O) (=O)C6(C)CC6)NC(=O)O[CH](C7CCCC7)C(F)(F) F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O )NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C6C CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C; C C1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4n c5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C3CC CC3)C(F)(F)F)CCCCCC=CC2C1; COc1ccc2nc(C) c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\ C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O )C6(C)CC6)NC(=O)O[C@H](C7CCCC7)C(F)(F)F) nc2c1; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@ H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H]( C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F) C(=O)NS(=O)(=O)C7(CC7)C |
(1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49322 | ZK5 CHEMBL1201388 DB00687 ZINC000004097304 |
1 | C21 H29 F O5 | InChI=1S/C21H29FO5/c1-18- 7-5-13(24)9-12(18)3-4-15- 14-6-8-20(27,17(26)11-23) 19(14,2)10-16(25)21(15,18 )22/h9,14-16,23,25,27H,3- 8,10-11H2,1-2H3/t14-,15-, 16-,18-,19-,20-,21-/m0/s1; AAXVEMMRQDVLJB-BULBTXNYSA-N |
O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)CC1 )CCC4C2CC3)C)C; C[C@]12C[C@H](O)[C@@]3(F )[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C @]2(O)C(=O)CO; C[C@]12CCC(=O)C=C1CC[C@@H ]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(= O)CO)O)C)O)F; CC12CCC(=O)C=C1CCC3C2(C(CC 4(C3CCC4(C(=O)CO)O)C)O)F; C[C]12C[CH](O) [C]3(F)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[ C]2(O)C(=O)CO |
9ALPHA-FLUOROCORTISOL |
| 49323 | ZK6 ZINC000002561796 |
1 | C16 H17 N3 O3 | InChI=1S/C16H17N3O3/c20-1 5(14-7-4-12-22-14)18-8-10 -19(11-9-18)16(21)17-13-5 -2-1-3-6-13/h1-7,12H,8-11 H2,(H,17,21); DWSQSPVNNSEKBI-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3; O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1; O= C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3 |
4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide |
| 49324 | ZK7 | 2 | C38 H47 F3 N6 O9 S | InChI=1S/C38H47F3N6O9S/c1 -22-31(43-28-18-24(54-3)1 2-13-26(28)42-22)55-25-19 -29-30(48)45-37(33(50)46- 57(52,53)35(2)16-17-35)20 -23(37)10-7-5-4-6-8-11-27 (32(49)47(29)21-25)44-34( 51)56-36(14-9-15-36)38(39 ,40)41/h7,10,12-13,18,23, 25,27,29H,4-6,8-9,11,14-1 7,19-21H2,1-3H3,(H,44,51) (H,45,48)(H,46,50)/b10-7- /t23-,25-,27+,29+,37-/m1/ s1; RXAPCCHAKDPLNB-ZEJZJNHJSA-N |
CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4 nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CC C3)C(F)(F)F)CCCCCC=CC2C1; COc1ccc2nc(C)c (O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C =C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O) C6(C)CC6)NC(=O)OC7(CCC7)C(F)(F)F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C =CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F )F)C(=O)NS(=O)(=O)C7(CC7)C; COc1ccc2nc(C )c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[C H]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6 )NC(=O)OC7(CCC7)C(F)(F)F)nc2c1; Cc1c(nc2 cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5 (C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O )OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7 )C |
1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49325 | ZK8 | 8 | C16 H21 N2 O4 P | InChI=1S/C16H21N2O4P/c1-2 -3-4-5-12-23(20,21)22-14- 9-7-11-18-16(14)15-13(19) 8-6-10-17-15/h6-11,19H,2- 5,12H2,1H3,(H,20,21); QYCWYIQRYAMGGW-UHFFFAOYSA-N |
CCCCCC[P@@](=O)(O)Oc1cccnc1c2c(cccn2)O; CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O; CCCC CCP(=O)(O)Oc1cccnc1c2c(cccn2)O |
hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid |
| 49326 | ZK9 | 0 | C20 H20 F2 N4 O2 | InChI=1S/C20H18F2N4O2/c1- 11-16(21)19(27-14-6-2-4-1 2(8-14)10-23)26-20(17(11) 22)28-15-7-3-5-13(9-15)18 (24)25/h2-9H,10,23H2,1H3, (H3,24,25)/p+2; GJHKKJHVSXUANP-UHFFFAOYSA-P |
Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3 cccc(c3)C[NH3+])F; Cc1c(F)c(Oc2cccc(C[NH 3+])c2)nc(Oc3cccc(c3)C(N)=[NH2+])c1F; Fc 3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(c2 )C[NH3+])c(F)c3C |
[3-AMINOMETHYLPHENYL-OXY-]-[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE; ZK-806299 |
| 49327 | ZKA | 2 | C38 H50 N6 O9 S | InChI=1S/C38H50N6O9S/c1-2 3-32(40-29-18-25(51-4)12- 13-27(29)39-23)53-26-19-3 0-31(45)42-38(34(47)43-54 (49,50)37(3)16-17-37)20-2 4(38)10-8-6-5-7-9-11-28(3 3(46)44(30)21-26)41-35(48 )52-22-36(2)14-15-36/h8,1 0,12-13,18,24,26,28,30H,5 -7,9,11,14-17,19-22H2,1-4 H3,(H,41,48)(H,42,45)(H,4 3,47)/b10-8-/t24-,26-,28+ ,30+,38-/m1/s1; FVAHUZNNBVVCMP-ZJYMAAHDSA-N |
Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O )N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4 C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC 7)C; COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3 )C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4= O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OCC7(C )CC7)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C (=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OCC 6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C; CC1(CC1 )S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(O C)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CC CCCC=CC2C1; COc1ccc2nc(C)c(O[CH]3C[CH]4N (C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C (=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OCC7(C)CC 7)nc2c1 |
(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49328 | ZKC | 1 | C22 H28 N4 O5 | InChI=1S/C22H28N4O5/c1-22 (2,3)31-21(29)24-17-7-4-6 -16(14-17)15-23-20(28)26- 11-9-25(10-12-26)19(27)18 -8-5-13-30-18/h4-8,13-14H ,9-12,15H2,1-3H3,(H,23,28 )(H,24,29); BHKADWPHBGQYGQ-UHFFFAOYSA-N |
O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)( C)C)c1)c1ccco1; CC(C)(C)OC(=O)Nc1cccc(c1 )CNC(=O)N2CCN(CC2)C(=O)c3ccco3; CC(C)(C) OC(=O)Nc1cccc(CNC(=O)N2CCN(CC2)C(=O)c3oc cc3)c1 |
tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate |
| 49329 | ZKD | 1 | C17 H27 N3 O16 P2 S | InChI=1S/C17H27N3O16P2S/c 1-6(22)18-10-13(26)11(24) 7(4-21)35-16(10)39-38(31, 32)36-37(29,30)33-5-8-12( 25)14(27)15(34-8)20-3-2-9 (23)19-17(20)28/h2-3,7-8, 10-16,21,24-27H,4-5H2,1H3 ,(H,18,22)(H,29,30)(H,31, 32)(H,19,23,28)/t7-,8-,10 +,11-,12-,13-,14-,15-,16- /m1/s1; NBABRWVWQSKDQY-ZYQOOJPVSA-N |
O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O) (O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O; CC(=O )NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O )(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@ @H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC(=O )N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1S[P]( O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(C(C(OC1S P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O) NC3=O)O)O)CO)O)O; CC(=O)N[C@H]1[C@@H](O) [C@H](O)[C@@H](CO)O[C@@H]1S[P](O)(=O)O[P ](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O) N3C=CC(=O)NC3=O |
URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE |
| 49330 | ZKE | 3 | C27 H46 N7 O20 P3 S | InChI=1S/C27H46N7O20P3S/c 1-26(2,21(40)24(41)30-5-4 -15(35)29-6-7-58-17(38)9- 27(3,42)8-16(36)37)11-51- 57(48,49)54-56(46,47)50-1 0-14-20(53-55(43,44)45)19 (39)25(52-14)34-13-33-18- 22(28)31-12-32-23(18)34/h 12-14,17,19-21,25,38-40,4 2H,4-11H2,1-3H3,(H,29,35) (H,30,41)(H,36,37)(H,46,4 7)(H,48,49)(H2,28,31,32)( H2,43,44,45)/t14-,17-,19- ,20-,21+,25-,27+/m1/s1; RGCJQGNQJYHPPZ-NLYQEGKRSA-N |
C[C](O)(C[CH](O)SCCNC(=O)CCNC(=O)[CH](O) C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[C H]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)nc nc23)CC(O)=O; C[C@@](O)(C[C@H](O)SCCNC(= O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P ](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[ P](O)(O)=O)n2cnc3c(N)ncnc23)CC(O)=O; CC( C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NC CSC(CC(C)(CC(=O)O)O)O)O; C[C@@](C[C@H](O )SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)( O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O 1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O )O; O=C(O)CC(C)(O)CC(O)SCCNC(=O)CCNC(=O) C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2c nc3c(N)ncnc32)C(O)C1OP(=O)(O)O |
Mevaldyl-Coenzyme A; (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name) |
| 49331 | ZKG | 2 | O39 P W11 Zr | InChI=1S/HO4P.35O.11W.Zr/ c1-5(2,3)4;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;/h5H;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;; NBVITJPYFSGCOJ-UHFFFAOYSA-N |
O=[W]123O[Zr]45O[W]67(=O)(O[PH]89[O]%10% 11[W]%12%13(=O)(O4)O[W]%14%15(=O)(O5)O[W ]%16%17(=O)(O6)O[W]%18%19(=O)(O7)O[W]%20 %21(=O)(O1)O[W]%10(=O)(O2)(O%12)O[W]%11% 22(=O)(O%13)O[W](=O)(O%14)(O%16)(O[W](=O )(O%20)(O%18)(O%22)[O]8%19%21)[O]9%15%17 )O3; O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91 O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O9 6[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(= O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O )(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)( O7)O2 |
ZIRCONIUM(IV) PHOSPHOTUNGSTATE KEGGIN |
| 49332 | ZKH | 1 | C13 H19 N3 O3 S | InChI=1S/C13H19N3O3S/c1-1 9-9-4-14-13(18)16-7-5-15( 6-8-16)12(17)11-3-2-10-20 -11/h2-3,10H,4-9H2,1H3,(H ,14,18); QKXFZIVPIBBCQA-UHFFFAOYSA-N |
COCCNC(=O)N1CCN(CC1)C(=O)c2sccc2; COCCNC (=O)N1CCN(CC1)C(=O)c2cccs2; O=C(N1CCN(CC 1)C(=O)NCCOC)c1cccs1 |
N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| 49333 | ZKI | 1 | C17 H14 Cl2 N4 O | InChI=1S/C17H14Cl2N4O/c18 -14-7-12-13(8-15(14)19)17 (21-11-3-6-24-9-11)23-22- 16(12)10-1-4-20-5-2-10/h1 -2,4-5,7-8,11H,3,6,9H2,(H ,21,23)/t11-/m1/s1; VPPZBKRTEZMHNH-LLVKDONJSA-N |
Clc1cc2c(N[C@@H]3CCOC3)nnc(c4ccncc4)c2cc 1Cl; Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CC OC1; c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCOC4) Cl)Cl; c1cnccc1c2c3cc(c(cc3c(nn2)N[C@@H] 4CCOC4)Cl)Cl; Clc1cc2c(N[CH]3CCOC3)nnc(c 4ccncc4)c2cc1Cl |
6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine |
| 49334 | ZKJ | 2 | C36 H45 F3 N6 O9 S | InChI=1S/C36H45F3N6O9S/c1 -20-30(41-27-16-23(52-4)1 2-13-25(27)40-20)54-24-17 -28-29(46)43-35(32(48)44- 55(50,51)34(3)14-15-34)18 -22(35)10-8-6-5-7-9-11-26 (31(47)45(28)19-24)42-33( 49)53-21(2)36(37,38)39/h8 ,10,12-13,16,21-22,24,26, 28H,5-7,9,11,14-15,17-19H 2,1-4H3,(H,42,49)(H,43,46 )(H,44,48)/b10-8-/t21-,22 -,24-,26+,28+,35-/m1/s1; RTCPQVJDZHADDP-XVMCOVDDSA-N |
Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C =CCCCCCC(C(=O)N4C3)NC(=O)OC(C)C(F)(F)F)C (=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc(C)c(O [C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C /[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O)C6 (C)CC6)NC(=O)O[C@H](C)C(F)(F)F)nc2c1; CO c1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH]( CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(= O)C6(C)CC6)NC(=O)O[CH](C)C(F)(F)F)nc2c1; CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc 4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C) C(F)(F)F)CCCCCC=CC2C1; Cc1c(nc2cc(ccc2n1 )OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/ C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C )C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C |
(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
| 49335 | ZKK ZINC000198087977 |
2 | C26 H42 N7 O19 P3 S | InChI=1S/C26H42N7O19P3S/c 1-13(8-16(35)36)25(40)56- 7-6-28-15(34)4-5-29-23(39 )20(38)26(2,3)10-49-55(46 ,47)52-54(44,45)48-9-14-1 9(51-53(41,42)43)18(37)24 (50-14)33-12-32-17-21(27) 30-11-31-22(17)33/h11-14, 18-20,24,37-38H,4-10H2,1- 3H3,(H,28,34)(H,29,39)(H, 35,36)(H,44,45)(H,46,47)( H2,27,30,31)(H2,41,42,43) /t13-,14+,18+,19+,20-,24+ /m0/s1; OUFHQHVVFSERRI-VKBDFPRVSA-N |
C[C@@H](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n 2cnc3c(N)ncnc23; C[CH](CC(O)=O)C(=O)SCCN C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]( O)(O)=O)n2cnc3c(N)ncnc23; CC(CC(=O)O)C(= O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP( =O)(O)O)O; C[C@@H](CC(=O)O)C(=O)SCCNC(=O )CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)( O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c 2ncnc3N)O)OP(=O)(O)O)O |
(2S)-Methylsuccinyl-CoA; (3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid |
| 49336 | ZKL | 1 | C15 H23 N3 O3 | InChI=1S/C15H23N3O3/c1-3- 4-7-16-15(20)18-9-8-17(11 -12(18)2)14(19)13-6-5-10- 21-13/h5-6,10,12H,3-4,7-9 ,11H2,1-2H3,(H,16,20)/t12 -/m1/s1; HESHQILVHQSCOB-GFCCVEGCSA-N |
CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2occc2; CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2ccco2; O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1; CCC CNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2; CCCCN C(=O)N1CCN(CC1C)C(=O)c2ccco2 |
(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
| 49337 | ZKM ZINC000085587916 |
4 | C40 H77 N O11 S | InChI=1S/C40H77NO11S/c1-3 -5-7-9-11-13-15-17-19-21- 23-25-27-29-34(43)33(32-5 0-40-38(46)39(52-53(47,48 )49)37(45)35(31-42)51-40) 41-36(44)30-28-26-24-22-2 0-18-16-14-12-10-8-6-4-2/ h27,29,33-35,37-40,42-43, 45-46H,3-26,28,30-32H2,1- 2H3,(H,41,44)(H,47,48,49) /b29-27+/t33-,34+,35+,37- ,38+,39-,40+/m0/s1; CJGVDSGIQZDLDO-PHLJAKBWSA-N |
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C @H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H] 1O)[C@H](O)/C=C/CCCCCCCCCCCCC; CCCCCCCCC CCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O) (=O)O)O)C(C=CCCCCCCCCCCCCC)O; CCCCCCCCCC CCC\C=C\C(O)C(COC1OC(CO)C(O)C(OS(=O)(=O) O)C1O)NC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCC CCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C @H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/ C=C/CCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCC(=O )N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S]( O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC |
N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide |
| 49338 | ZKO | 0 | C9 H14 N2 O6 | InChI=1S/C9H14N2O6/c10-6( 12)2-1-5(9(16)17)11-7(13) 3-4-8(14)15/h5H,1-4H2,(H2 ,10,12)(H,11,13)(H,14,15) (H,16,17)/t5-/m0/s1; RLYZAJHMBJUMAP-YFKPBYRVSA-N |
C(CC(=O)N)C(C(=O)O)NC(=O)CCC(=O)O; NC(=O )CC[CH](NC(=O)CCC(O)=O)C(O)=O; NC(=O)CC[ C@H](NC(=O)CCC(O)=O)C(O)=O |
N-SUCCINYL-GLUTAMINE; 5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid |
| 49339 | ZKP | 2 | C H3 Fe3 S4 | InChI=1S/CH3S.3Fe.3S/c1-2 ;;;;;;/h1H3;;;;;;; NMYMZQNZHUHIMW-UHFFFAOYSA-N |
C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3; CS[Fe]1S[Fe ]S[Fe]S1 |
FE3-S4 methylated cluster |
| 49340 | ZKQ | 1 | C16 H16 F N3 O3 | InChI=1S/C16H16FN3O3/c17- 12-4-1-2-5-13(12)18-16(22 )20-9-7-19(8-10-20)15(21) 14-6-3-11-23-14/h1-6,11H, 7-10H2,(H,18,22); DRSQTYLODSUBKE-UHFFFAOYSA-N |
O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1; c 1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F ; Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3 |
N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| 49341 | ZKR ZINC000169807956 |
7 | C5 H4 B F3 O2 S | InChI=1S/C5H4BF3O2S/c7-5( 8,9)3-1-2-4(12-3)6(10)11/ h1-2,10-11H; NHBZQJOZVBHDAZ-UHFFFAOYSA-N |
FC(F)(F)c1ccc(s1)B(O)O; OB(O)c1sc(cc1)C( F)(F)F; B(c1ccc(s1)C(F)(F)F)(O)O |
[5-(trifluoromethyl)thiophen-2-yl]boronic acid |
| 49342 | ZKS CHEMBL1242023 ZINC000095615598 |
2 | C6 H19 O27 P7 | InChI=1S/C6H19O27P7/c7-34 (8,9)27-1-2(28-35(10,11)1 2)4(30-37(16,17)18)6(32-4 0(25,26)33-39(22,23)24)5( 31-38(19,20)21)3(1)29-36( 13,14)15/h1-6H,(H,25,26)( H2,7,8,9)(H2,10,11,12)(H2 ,13,14,15)(H2,16,17,18)(H 2,19,20,21)(H2,22,23,24)/ t1-,2-,3-,4+,5-,6-/m1/s1; UPHPWXPNZIOZJL-XCMZKKERSA-N |
O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH]( O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)= O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C 1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O) (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(= O)(O)O; O[P](O)(=O)O[C@H]1[C@@H](O[P](O) (O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)( =O)O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@ H]1O[P](O)(O)=O; [C@@H]1([C@H](C([C@H]([ C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O )OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O )O; O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O) O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O P(=O)(O)O |
(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
| 49343 | ZKU | 1 | C15 H16 N4 O3 | InChI=1S/C15H16N4O3/c20-1 4(12-4-3-11-22-12)18-7-9- 19(10-8-18)15(21)17-13-5- 1-2-6-16-13/h1-6,11H,7-10 H2,(H,16,17,21); KPHBWCVSZXZCHM-UHFFFAOYSA-N |
O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3; O= C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1; c1cc nc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3 |
4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide |
| 49344 | ZKV CHEMBL45305 DB19033 |
2 | C20 H22 Cl F2 N3 O | InChI=1S/C20H22ClF2N3O/c1 -14-2-4-16(25-11-14)12-24 -13-20(23)6-8-26(9-7-20)1 9(27)15-3-5-18(22)17(21)1 0-15/h2-5,10-11,24H,6-9,1 2-13H2,1H3; PKZXLMVXBZICTF-UHFFFAOYSA-N |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl )c3)nc1; Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c 3ccc(c(c3)Cl)F)F |
(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone |
| 49345 | ZKW CHEMBL4561845 ZINC000004808502 |
2 | C12 H8 Cl2 N2 O4 | InChI=1S/C12H8Cl2N2O4/c13 -7-2-1-6(8(14)3-7)5-16-10 (12(19)20)4-9(15-16)11(17 )18/h1-4H,5H2,(H,17,18)(H ,19,20); FIUGGBBCGGFVRL-UHFFFAOYSA-N |
c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O ; OC(=O)c1cc(n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O ; O=C(O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(=O)O |
1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid |
| 49346 | ZKZ | 1 | C18 H21 N3 O4 | InChI=1S/C18H21N3O4/c1-19 -18(23)21-11-9-20(10-12-2 1)17(22)16-8-7-15(25-16)1 3-24-14-5-3-2-4-6-14/h2-8 H,9-13H2,1H3,(H,19,23); QBRVSAXGTOEUNH-UHFFFAOYSA-N |
CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc 2; CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc 2)o1; CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc 3ccccc3 |
N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide |
| 49347 | ZL1 CHEMBL4455682 |
2 | C27 H20 F2 N4 O4 | InChI=1S/C27H20F2N4O4/c28 -17-5-8-19(9-6-17)33-13-1 -2-21(27(33)36)26(35)31-1 8-7-10-23(22(29)14-18)37- 20-11-12-30-24(15-20)32-2 5(34)16-3-4-16/h1-2,5-16H ,3-4H2,(H,31,35)(H,30,32, 34); UFWJGUUHERHCOL-UHFFFAOYSA-N |
O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=C N(c2ccc(F)cc2)C1=O)C1CC1; c1cc(ccc1N2C=C C=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)N C(=O)C5CC5)F; Fc1ccc(cc1)N2C=CC=C(C(=O)N c3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)C2=O |
N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide |
| 49348 | ZL3 | 1 | C14 H21 N3 O3 | InChI=1S/C14H21N3O3/c1-10 (2)15-14(19)16-6-7-17(11( 3)9-16)13(18)12-5-4-8-20- 12/h4-5,8,10-11H,6-7,9H2, 1-3H3,(H,15,19)/t11-/m1/s 1; VFOPSAKXHHWNTF-LLVKDONJSA-N |
CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C; CC(C )NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2; CC( C)NC(=O)N1CCN([C@@H](C)C1)C(=O)c2occc2; O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1; C[C@ H]1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C |
(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide |
| 49349 | ZL4 | 3 | C37 H54 N5 O4 | InChI=1S/C37H53N5O4/c1-2- 37(45,46)16-9-7-8-12-31-3 3-38-26-32(39-33)28-13-14 -29-27(24-28)15-21-42(35( 29)44)20-11-6-4-3-5-10-19 -41-22-17-36(18-23-41)25- 30(36)34(43)40-31/h13-15, 21,24,26,30-31,45-46H,2-1 2,16-20,22-23,25H2,1H3,(H 2,38,39,40,43,44)/p+1/t30 -,31+/m1/s1; RPBUYCMDTDPYHG-JSOSNVBQSA-O |
CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)c c[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(= O)N1)(O)O; CCC(O)(O)CCCCCC1NC(=O)C2CC32C CN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH ]2)CC3; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CC 23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4O)c6[nH] c1nc6)CC3; CCC(CCCCCC1c2[nH]c(cn2)-c3ccc 4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)CC6C (=O)N1)(O)O; CCC(O)(O)CCCCC[C@@H]1NC(=O) [C@H]2CC23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4 O)c6[nH]c1nc6)CC3 |
(1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) |
| 49350 | ZL5 | 2 | C18 H14 F4 N6 | InChI=1S/C18H14F4N6/c1-10 -4-3-5-12-16(13-8-11(18(2 0,21)22)6-7-14(13)19)25-2 8(17(10)12)9-15-23-26-27( 2)24-15/h3-8H,9H2,1-2H3; MMEFXWUINPSTPN-UHFFFAOYSA-N |
Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C )c23)nn1; Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F )F)c4cccc(C)c24)n1; Cc1cccc2c1n(nc2c3cc( ccc3F)C(F)(F)F)Cc4nnn(n4)C |
3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole |
| 49351 | ZL6 CHEMBL5421628 |
1 | C28 H33 N3 O3 | InChI=1S/C28H33N3O3/c1-3- 20-17-24(22-9-11-29-12-10 -22)18-21(4-2)27(20)30-25 -8-5-7-23(26(25)28(32)33) 19-31-13-6-15-34-16-14-31 /h5,7-12,17-18,30H,3-4,6, 13-16,19H2,1-2H3,(H,32,33 ); DYKGFUNWMFFSJF-UHFFFAOYSA-N |
CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3) CC)c4ccncc4; CCc1cc(cc(CC)c1Nc2cccc(CN3C CCOCC3)c2C(O)=O)c4ccncc4 |
2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid |
| 49352 | ZL7 | 1 | C23 H31 F4 N3 O5 S | InChI=1S/C23H31F4N3O5S/c1 -2-17(19(31)22(33)28-16-9 -10-16)30-21(32)18(12-36( 34,35)11-13-3-4-13)29-20( 23(25,26)27)14-5-7-15(24) 8-6-14/h5-8,13,16-20,29,3 1H,2-4,9-12H2,1H3,(H,28,3 3)(H,30,32)/t17-,18-,19+, 20-/m0/s1; DXQKITXDEYCCEL-HAGHYFMRSA-N |
OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1cc c(F)cc1)C(F)(F)F)C(=O)NC1CC1; CCC(C(C(=O )NC1CC1)O)NC(=O)C(CS(=O)(=O)CC2CC2)NC(c3 ccc(cc3)F)C(F)(F)F; CC[C@@H]([C@H](C(=O) NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[ C@@H](c3ccc(cc3)F)C(F)(F)F; CC[C@H](NC(= O)[C@H](C[S](=O)(=O)CC1CC1)N[C@@H](c2ccc (F)cc2)C(F)(F)F)[C@@H](O)C(=O)NC3CC3; CC [CH](NC(=O)[CH](C[S](=O)(=O)CC1CC1)N[CH] (c2ccc(F)cc2)C(F)(F)F)[CH](O)C(=O)NC3CC3 |
(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) |
| 49353 | ZL8 | 1 | C23 H27 Cl N4 O3 S | InChI=1S/C23H27ClN4O3S/c2 4-19-4-1-3-17(15-19)22(30 )26-9-2-10-27(13-12-26)23 (31)25-8-5-21(29)28-11-6- 20-18(16-28)7-14-32-20/h1 ,3-4,7,14-15H,2,5-6,8-13, 16H2,(H,25,31); QVFQIIVBSCFNLP-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)C(=O)N2CCCN(CC2)C(=O)NCCC( =O)N3CCc4c(ccs4)C3; Clc1cccc(c1)C(=O)N2C CCN(CC2)C(=O)NCCC(=O)N3CCc4sccc4C3; Clc1 cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1C Cc2sccc2C1 |
4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide |
| 49354 | ZL9 | 1 | C20 H24 N2 O5 | InChI=1S/C20H24N2O5/c1-24 -18-5-2-3-6-19(18)26-12-1 0-21-9-4-11-25-15-7-8-17- 16(13-15)22-20(23)14-27-1 7/h2-3,5-8,13,21H,4,9-12, 14H2,1H3,(H,22,23); JIDGHQZPZOREIN-UHFFFAOYSA-N |
COc1ccccc1OCCNCCCOc2ccc3c(c2)NC(=O)CO3; COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2 |
6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one |
| 49355 | ZLA | 1 | C33 H35 N7 O4 | InChI=1S/C33H35N7O4/c41-2 9(37-33(32(43)44)12-4-1-5 -13-33)16-20-14-24(21-8-9 -21)30(25(15-20)22-10-11- 22)40-19-23(38-39-40)17-3 5-31(42)28-18-34-26-6-2-3 -7-27(26)36-28/h2-3,6-7,1 4-15,18-19,21-22H,1,4-5,8 -13,16-17H2,(H,35,42)(H,3 7,41)(H,43,44); BZXDUAKTLARJRN-UHFFFAOYSA-N |
c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc (cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7; OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(n4c c(CNC(=O)c5cnc6ccccc6n5)nn4)c(c2)C7CC7; O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1 )n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1 |
1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid |
| 49356 | ZLC | 1 | C16 H19 N3 O3 S | InChI=1S/C16H19N3O3S/c1-1 2-4-5-14(22-12)15(20)18-6 -8-19(9-7-18)16(21)17-11- 13-3-2-10-23-13/h2-5,10H, 6-9,11H2,1H3,(H,17,21); FSJIDIRPKORUPE-UHFFFAOYSA-N |
Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccs3; Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3sccc3 ; O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o 1 |
4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide |
| 49357 | ZLD CHEMBL126 DB00601 ZINC000002008866 |
1 | C16 H20 F N3 O4 | InChI=1S/C16H20FN3O4/c1-1 1(21)18-9-13-10-20(16(22) 24-13)12-2-3-15(14(17)8-1 2)19-4-6-23-7-5-19/h2-3,8 ,13H,4-7,9-10H2,1H3,(H,18 ,21)/t13-/m0/s1; TYZROVQLWOKYKF-ZDUSSCGKSA-N |
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3 CCOCC3; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N 3CCOCC3)c(F)c2; O=C1OC(CNC(=O)C)CN1c3cc( F)c(N2CCOCC2)cc3; CC(=O)NCC1CN(C(=O)O1)c 2ccc(c(c2)F)N3CCOCC3; CC(=O)NC[CH]1CN(C( =O)O1)c2ccc(N3CCOCC3)c(F)c2 |
N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide; Linezolid |
| 49358 | ZLE | 4 | C14 H15 N3 O | InChI=1S/C14H15N3O/c1-2-1 4(18)17-12-5-3-4-10(8-12) 11-6-7-16-13(15)9-11/h3-9 H,2H2,1H3,(H2,15,16)(H,17 ,18); KMUHVBPNEFKYMG-UHFFFAOYSA-N |
CCC(=O)Nc1cccc(c1)c2ccnc(c2)N; CCC(=O)Nc 1cccc(c1)c2ccnc(N)c2 |
~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide |
| 49359 | ZLF | 0 | C11 H14 F N O2 S | InChI=1S/C11H14FNO2S/c1-7 -2-8(4-9(12)3-7)5-16-6-10 (13)11(14)15/h2-4,10H,5-6 ,13H2,1H3,(H,14,15)/t10-/ m0/s1; USVLRZDFSGVOCB-JTQLQIEISA-N |
Cc1cc(cc(c1)F)CSCC(C(=O)O)N; Cc1cc(F)cc( CSC[CH](N)C(O)=O)c1; Cc1cc(F)cc(CSC[C@H] (N)C(O)=O)c1 |
S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE; 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
| 49360 | ZLG | 1 | C34 H35 F N6 O4 | InChI=1S/C34H35FN6O4/c35- 24-9-11-28-23(17-24)8-10- 29(37-28)32(43)36-18-25-1 9-41(40-39-25)31-26(21-4- 5-21)14-20(15-27(31)22-6- 7-22)16-30(42)38-34(33(44 )45)12-2-1-3-13-34/h8-11, 14-15,17,19,21-22H,1-7,12 -13,16,18H2,(H,36,43)(H,3 8,42)(H,44,45); RNZLLYIHGGOVPO-UHFFFAOYSA-N |
c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(c c(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7 ; O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1C C1)n1cc(nn1)CNC(=O)c1ccc2cc(F)ccc2n1)C1C C1; OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c( n4cc(CNC(=O)c5ccc6cc(F)ccc6n5)nn4)c(c2)C 7CC7 |
antabactin; 1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid |
| 49361 | ZLH | 1 | C15 H21 N3 O3 | InChI=1S/C15H21N3O3/c1-11 -10-17(14(19)13-3-2-8-21- 13)6-7-18(11)15(20)16-9-1 2-4-5-12/h2-3,8,11-12H,4- 7,9-10H2,1H3,(H,16,20)/t1 1-/m0/s1; ICUJAPAHFNAKBW-NSHDSACASA-N |
O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1; C [C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3; C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3; CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3; C[ C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3 |
(2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
| 49362 | ZLI CHEMBL1529573 ZINC000000030723 |
1 | C14 H15 N O S | InChI=1S/C14H15NOS/c1-11- 4-6-12(7-5-11)10-15-14(16 )9-13-3-2-8-17-13/h2-8H,9 -10H2,1H3,(H,15,16); CWLVAWNDMFRWPI-UHFFFAOYSA-N |
Cc1ccc(cc1)CNC(=O)Cc2cccs2; Cc1ccc(CNC(= O)Cc2sccc2)cc1 |
~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide |
| 49363 | ZLJ ZINC000004261819 |
1 | C2 H5 Cl O3 S | InChI=1S/C2H5ClO3S/c3-1-2 -7(4,5)6/h1-2H2,(H,4,5,6); FXKMTSIKHBYZSZ-UHFFFAOYSA-N |
ClCCS(=O)(=O)O; C(CCl)S(=O)(=O)O; O[S](= O)(=O)CCCl |
2-chloroethane-1-sulfonic acid |
| 49364 | ZLK CHEMBL603 DB00549 ZINC000000896717 |
5 | C31 H33 N3 O6 S | InChI=1S/C31H33N3O6S/c1-2 0-8-4-7-11-29(20)41(37,38 )33-30(35)22-13-12-21(28( 17-22)39-3)16-23-19-34(2) 27-15-14-24(18-26(23)27)3 2-31(36)40-25-9-5-6-10-25 /h4,7-8,11-15,17-19,25H,5 -6,9-10,16H2,1-3H3,(H,32, 36)(H,33,35); YEEZWCHGZNKEEK-UHFFFAOYSA-N |
COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4) cc23)C(=O)N[S](=O)(=O)c5ccccc5C; Cc1cccc c1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c 3cc(cc4)NC(=O)OC5CCCC5)C |
zafirlukast |
| 49365 | ZLL | 28 | C19 H20 Br F2 N3 O | InChI=1S/C19H20BrF2N3O/c2 0-16-3-1-14(2-4-16)12-23- 19(26)25-7-5-24(6-8-25)13 -15-9-17(21)11-18(22)10-1 5/h1-4,9-11H,5-8,12-13H2, (H,23,26); HRSJZGGIFGZVFD-UHFFFAOYSA-N |
Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc 3)c1; c1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc (c3)F)F)Br |
4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide |
| 49366 | ZLM | 3 | C33 H47 N5 O4 | InChI=1S/C33H47N5O4/c1-4- 33(41,42)14-9-7-8-10-27(3 6-30(39)26-21-32(26)15-18 -37(5-2)19-16-32)29-34-22 -28(35-29)24-11-12-25-23( 20-24)13-17-38(6-3)31(25) 40/h11-13,17,20,22,26-27, 41-42H,4-10,14-16,18-19,2 1H2,1-3H3,(H,34,35)(H,36, 39)/t26-,27+/m1/s1; UGJJVROKAWKMLZ-SXOMAYOGSA-N |
CCN1CCC2(CC1)C[CH]2C(=O)N[CH](CCCCCC(O)( O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=Cc5c4 ; O=C1c2ccc(cc2C=CN1CC)c1cnc([NH]1)C(CCC CCC(O)(O)CC)NC(=O)C1CC21CCN(CC)CC2; CCC( CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN( C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O; CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCC C(O)(O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C= Cc5c4; CCC(CCCCCC(c1[nH]c(cn1)c2ccc3c(c2 )C=CN(C3=O)CC)NC(=O)C4CC45CCN(CC5)CC)(O) O |
(1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide |
| 49367 | ZLO ZINC000001511088 |
2 | C5 H7 N3 O S2 | InChI=1S/C5H7N3OS2/c1-3(9 )6-4-7-5(10-2)8-11-4/h1-2 H3,(H,6,7,8,9); OMEQZPBOTOKCQC-UHFFFAOYSA-N |
CSc1nsc(NC(C)=O)n1; CC(=O)Nc1nc(ns1)SC | ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide |
| 49368 | ZLP CHEMBL2041942 ZINC000084654577 |
2 | C32 H44 N4 O10 S | InChI=1S/C32H44N4O10S/c1- 20(2)16-36(47(39,40)22-10 -11-23-26(15-22)45-31(33- 3)34-23)17-25(37)24(14-21 -8-6-5-7-9-21)35-32(38)46 -28-19-44-30-29(28)27(18- 43-30)42-13-12-41-4/h5-11 ,15,20,24-25,27-30,37H,12 -14,16-19H2,1-4H3,(H,33,3 4)(H,35,38)/t24-,25+,27-, 28-,29-,30+/m0/s1; RAYAFQVLXHNDSC-CFUDKJTHSA-N |
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C @H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(= O)(=O)c4ccc5c(c4)O/C(=N\C)/N5; O=S(=O)(c 2cc1O\C(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(= O)OC3C4C(OCCOC)COC4OC3)Cc5ccccc5; CC(C)C N(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OC COC)O)S(=O)(=O)c4ccc5c(c4)OC(=NC)N5; COC CO[C@H]1CO[C@@H]2OC[C@H](OC(=O)N[C@@H](C c3ccccc3)[C@H](O)CN(CC(C)C)[S](=O)(=O)c4 ccc5NC(Oc5c4)=NC)[C@H]12; COCCO[CH]1CO[C H]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)C N(CC(C)C)[S](=O)(=O)c4ccc5NC(Oc5c4)=NC)[ CH]12 |
(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
| 49369 | ZLS | 3 | C32 H46 N4 O3 | InChI=1S/C32H46N4O3/c1-3- 32(38,39)12-6-4-5-7-27(35 -30(37)26-19-31(26)13-15- 36(2)16-14-31)29-33-20-28 (34-29)23-10-11-24-21-8-9 -22(17-21)25(24)18-23/h10 -11,18,20-22,26-27,38-39H ,3-9,12-17,19H2,1-2H3,(H, 33,34)(H,35,37)/t21-,22+, 26-,27+/m1/s1; OYAZOARGEULSKR-IMIIGWPFSA-N |
CCC(O)(O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN( C)CC2)c3[nH]cc(n3)c4ccc5[C@@H]6CC[C@@H]( C6)c5c4; CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O) CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1; CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[ C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6 )C)(O)O; CCC(O)(O)CCCCC[CH](NC(=O)[CH]1C C12CCN(C)CC2)c3[nH]cc(n3)c4ccc5[CH]6CC[C H](C6)c5c4; CCC(CCCCCC(c1[nH]cc(n1)c2ccc 3c(c2)C4CCC3C4)NC(=O)C5CC56CCN(CC6)C)(O) O |
(1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
| 49370 | ZLT ZINC000000369375 |
3 | C10 H12 N2 O3 S | InChI=1S/C10H12N2O3S/c13- 9(8-2-1-5-15-8)11-10(16)1 2-3-6-14-7-4-12/h1-2,5H,3 -4,6-7H2,(H,11,13,16); JQJIETSPJDDSJO-UHFFFAOYSA-N |
O=C(NC(=S)N1CCOCC1)c2occc2; c1cc(oc1)C(= O)NC(=S)N2CCOCC2 |
~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide |
| 49371 | ZLV | 3 | C27 H40 N4 O4 | InChI=1S/C27H40N4O4/c1-2- 27(33,34)15-8-3-5-12-21-2 5-28-19-22(29-25)20-11-6- 7-13-24(20)35-18-10-4-9-1 6-31-17-14-23(31)26(32)30 -21/h6-7,11,13,19,21,23,3 3-34H,2-5,8-10,12,14-18H2 ,1H3,(H,28,29)(H,30,32)/t 21-,23+/m0/s1; UDDWOBRBECZUIE-JTHBVZDNSA-N |
CCC(O)(O)CCCCC[C@@H]1NC(=O)[C@H]2CCN2CCC CCOc3ccccc3c4[nH]c1nc4; CCC(O)(O)CCCCCC1 NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2; C CC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCC CN4CC[C@@H]4C(=O)N1)(O)O; CCC(CCCCCC1c2[ nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O )O; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CC CCCOc3ccccc3c4[nH]c1nc4 |
(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one |
| 49372 | ZLW | 1 | C12 H18 N4 O3 | InChI=1S/C12H18N4O3/c13-3 -4-14-12(18)16-7-5-15(6-8 -16)11(17)10-2-1-9-19-10/ h1-2,9H,3-8,13H2,(H,14,18 ); NGTIGXKIESWBCE-UHFFFAOYSA-N |
NCCNC(=O)N1CCN(CC1)C(=O)c2occc2; c1cc(oc 1)C(=O)N2CCN(CC2)C(=O)NCCN; O=C(N1CCN(CC 1)C(=O)NCCN)c1ccco1 |
N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
| 49373 | ZLX ZINC000001393277 |
2 | C11 H13 N O5 | InChI=1S/C11H13NO5/c1-16- 11(15)8-5-7(13)6-12(8)10( 14)9-3-2-4-17-9/h2-4,7-8, 13H,5-6H2,1H3/t7-,8-/m0/s 1; GVYWVRYDCMRUCE-YUMQZZPRSA-N |
COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O; COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2; COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[ CH]1C[CH](O)CN1C(=O)c2occc2 |
methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
| 49374 | ZLY CHEMBL5074481 |
6 | C38 H44 N4 O6 | InChI=1S/C38H44N4O6/c39-3 3(43)23-32-36(47)40-24-26 (20-30-12-7-10-28-9-2-3-1 3-31(28)30)8-6-11-29(27-1 6-14-25(15-17-27)21-35(45 )46)22-34(44)42-38(37(48) 41-32)18-4-1-5-19-38/h2-3 ,6-7,9-17,26,29,32H,1,4-5 ,8,18-24H2,(H2,39,43)(H,4 0,47)(H,41,48)(H,42,44)(H ,45,46)/b11-6+/t26-,29-,3 2-/m0/s1; ZYRZDVCTSBJOQD-GZNVFMSSSA-N |
NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)C[CH]( C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(CC (O)=O)cc5; O=C(O)Cc1ccc(cc1)C1CC(=O)NC2( CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3 ccccc32)CC=C1; c1ccc2c(c1)cccc2C[C@@H]3C /C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H] (C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O; c1c cc2c(c1)cccc2CC3CC=CC(CC(=O)NC4(CCCCC4)C (=O)NC(C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O) O; NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C [C@H](/C=C/C[C@H](CNC1=O)Cc3cccc4ccccc34 )c5ccc(CC(O)=O)cc5 |
(4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid |
| 49375 | ZM0 | 1 | C19 H27 N3 O2 S2 | InChI=1S/C19H27N3O2S2/c1- 13(19(2,3)4)12-20-18(24)2 2-8-6-21(7-9-22)17(23)16- 11-15-14(26-16)5-10-25-15 /h5,10-11,13H,6-9,12H2,1- 4H3,(H,20,24)/t13-/m1/s1; NWCRAPGRDQGTKB-CYBMUJFWSA-N |
C[C@@H](CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2) ccs3)C(C)(C)C; C[CH](CNC(=O)N1CCN(CC1)C( =O)c2sc3ccsc3c2)C(C)(C)C; C[C@@H](CNC(=O )N1CCN(CC1)C(=O)c2sc3ccsc3c2)C(C)(C)C; C C(CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)ccs3)C (C)(C)C; CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C( =O)c1cc2sccc2s1 |
4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide |
| 49376 | ZM1 | 2 | C8 H16 N O8 P | InChI=1S/C8H16NO8P/c1-5(1 1)9-6(4-10)8(13)7(12)2-3- 17-18(14,15)16/h4,6-8,12- 13H,2-3H2,1H3,(H,9,11)(H2 ,14,15,16)/t6-,7-,8-/m1/s 1; SJEDNRVDWMBCDP-BWZBUEFSSA-N |
CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O; CC(=O )N[C@H](C=O)[C@@H](O)[C@H](O)CCO[P](O)(O )=O; O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O; CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)( O)=O; CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP (=O)(O)O)O)O |
2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose |
| 49377 | ZM2 | 1 | C6 H18 O24 P6 | InChI=1S/C6H18O24P6/c7-1- 2(25-31(8,9)10)4(27-33(14 ,15)16)6(29-36(23,24)30-3 5(20,21)22)5(28-34(17,18) 19)3(1)26-32(11,12)13/h1- 7H,(H,23,24)(H2,8,9,10)(H 2,11,12,13)(H2,14,15,16)( H2,17,18,19)(H2,20,21,22) /t1-,2-,3+,4-,5-,6-/m0/s1; FFZGWHDHUIRNPY-PTQMNWPWSA-N |
O[C@@H]1[C@@H](O[P](O)(O)=O)[C@H](O[P](O )(O)=O)[C@@H](O[P](O)(=O)O[P](O)(O)=O)[C @@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O; O[ CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O) [CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O )(O)=O)[CH]1O[P](O)(O)=O; O=P(O)(O)OC1C( OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O )C1OP(=O)(O)OP(=O)(O)O; C1(C(C(C(C(C1OP( =O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O P(=O)(O)O)OP(=O)(O)O)O; [C@H]1([C@@H](C( [C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O P(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
(1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
| 49378 | ZM3 ZINC000087528482 |
8 | C36 H59 N O11 | InChI=1S/C36H59NO11/c1-10 -28-25(19-44-36-34(43-9)3 2(42)30(40)24(6)46-36)13- 11-12-14-27(38)21(3)17-22 (4)33(20(2)15-16-29(39)47 -28)48-35-31(41)26(37(7)8 )18-23(5)45-35/h11-16,20- 26,28,30-36,40-42H,10,17- 19H2,1-9H3/b13-11+,14-12+ ,16-15+/t20-,21+,22-,23+, 24+,25+,26-,28+,30+,31+,3 2+,33+,34+,35-,36+/m0/s1; FPIDCOOKEJFXFI-WKUFBULYSA-N |
CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@ @H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[ C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C @H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O) OC; CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1 )C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C( C(O3)C)O)O)OC; O=C3C=CC=CC(COC1OC(C(O)C( O)C1OC)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC(N(C )C)C2O)C(C)CC3C)CC; CC[CH]1OC(=O)C=C[CH] (C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C )[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O [CH](C)[CH](O)[CH](O)[CH]3OC; CC[C@H]1OC (=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C )C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H]( C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]3O[C@H](C )[C@@H](O)[C@@H](O)[C@H]3OC |
MYCINAMICIN III |
| 49379 | ZM4 | 1 | C24 H25 N5 O | InChI=1S/C24H25N5O/c1-4-2 1-19(22(25)29-24(27)28-21 )12-6-15(3)20-13-18(7-5-1 4(20)2)16-8-10-17(11-9-16 )23(26)30/h5,7-11,13,15H, 4H2,1-3H3,(H2,26,30)(H4,2 5,27,28,29)/t15-/m0/s1; YJUMTSDIAPDMCM-HNNXBMFYSA-N |
CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2C)c3c cc(cc3)C(N)=O; CCc1c(c(nc(n1)N)N)C#CC(C) c2cc(ccc2C)c3ccc(cc3)C(=O)N; CCc1nc(N)nc (N)c1C#C[C@H](C)c2cc(ccc2C)c3ccc(cc3)C(N )=O; CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1C)c 1ccc(cc1)C(N)=O; CCc1c(c(nc(n1)N)N)C#C[C @H](C)c2cc(ccc2C)c3ccc(cc3)C(=O)N |
3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide |
| 49380 | ZM5 | 0 | C32 H62 O5 | InChI=1S/C32H62O5/c1-3-5- 7-9-11-13-15-16-17-19-20- 22-24-26-31(34)36-29-30(2 8-33)37-32(35)27-25-23-21 -18-14-12-10-8-6-4-2/h30, 33H,3-29H2,1-2H3/t30-/m1/ s1; ZMBQEERVAJRJTB-SSEXGKCCSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CC CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(CO)O C(=O)CCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)O C[CH](CO)OC(=O)CCCCCCCCCCCC |
(2R)-2-(tridecanoyloxy)propyl hexadecanoate; (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate |
| 49381 | ZM6 | 1 | C16 H19 Cl2 N3 O2 | InChI=1S/C16H19Cl2N3O2/c1 7-13-4-3-12(9-14(13)18)15 (22)20-5-7-21(8-6-20)16(2 3)19-10-11-1-2-11/h3-4,9, 11H,1-2,5-8,10H2,(H,19,23 ); DPRJGBYDJHMEPY-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl )Cl; Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)N CC3CC3; O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc (Cl)c(Cl)c1 |
N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide |
| 49382 | ZM7 CHEMBL1788267 ZINC000000056647 |
1 | C17 H20 N2 S | InChI=1S/C17H20N2S/c1-13( 18(2)3)12-19-14-8-4-6-10- 16(14)20-17-11-7-5-9-15(1 7)19/h4-11,13H,12H2,1-3H3 /t13-/m1/s1; PWWVAXIEGOYWEE-CYBMUJFWSA-N |
C[C@H](CN1c2ccccc2Sc3ccccc13)N(C)C; CC(C N1c2ccccc2Sc3c1cccc3)N(C)C; C[C@H](CN1c2 ccccc2Sc3c1cccc3)N(C)C; C[CH](CN1c2ccccc 2Sc3ccccc13)N(C)C; CN(C)C(C)CN1c2ccccc2S c2ccccc12 |
(2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine |
| 49383 | ZM8 ZINC000000153943 |
4 | C10 H18 N2 O | InChI=1S/C10H18N2O/c1-8(1 3)12-6-4-10(5-7-12)11-9-2 -3-9/h9-11H,2-7H2,1H3; KWLJTPCIXGQHSB-UHFFFAOYSA-N |
CC(=O)N1CCC(CC1)NC2CC2 | 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone |
| 49384 | ZMA CHEMBL113142 DB08770 ZINC000000005258 |
33 | C16 H15 N7 O2 | InChI=1S/C16H15N7O2/c17-1 4-20-15(18-8-7-10-3-5-11( 24)6-4-10)21-16-19-13(22- 23(14)16)12-2-1-9-25-12/h 1-6,9,24H,7-8H2,(H3,17,18 ,19,20,21,22); PWTBZOIUWZOPFT-UHFFFAOYSA-N |
c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4) O; n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4 )N; Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4oc cc4 |
4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol |
| 49385 | ZMB | 1 | C13 H23 N O8 | InChI=1S/C13H23NO8/c1-6(1 2(19)20-3)5-21-13-9(14-7( 2)16)11(18)10(17)8(4-15)2 2-13/h6,8-11,13,15,17-18H ,4-5H2,1-3H3,(H,14,16)/t6 -,8+,9+,10+,11+,13+/m0/s1; LMSXTPOWCBFQKY-BCPRKZQJSA-N |
COC(=O)[CH](C)CO[CH]1O[CH](CO)[CH](O)[CH ](O)[CH]1NC(C)=O; COC(=O)[C@@H](C)CO[C@@ H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C )=O; O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C )=O; CC(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)C( =O)OC; C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@ H]([C@H](O1)CO)O)O)NC(=O)C)C(=O)OC |
methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate |
| 49386 | ZMC ZINC000000172225 |
3 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c1-2- 13-14(18-10-17-13)7-12(1) 9-16-8-11-3-5-15-6-4-11/h 1-7,16H,8-10H2; UGGCQMVKRPFZEA-UHFFFAOYSA-N |
c1cc2c(cc1CNCc3ccncc3)OCO2; C1Oc2ccc(CNC c3ccncc3)cc2O1 |
~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine |
| 49387 | ZMD | 8 | C7 H7 B O3 | InChI=1S/C7H7BO3/c9-7-5-3 -1-2-4-6(5)8(10)11-7/h1-4 ,7,9-10H/t7-/m0/s1; GKXMUTRKNBAUGN-ZETCQYMHSA-N |
OB1O[CH](O)c2ccccc12; OB1O[C@H](O)c2cccc c12; B1(c2ccccc2C(O1)O)O; B1(c2ccccc2[C@ H](O1)O)O; OB1OC(O)c2ccccc12 |
(3S)-2,1-benzoxaborole-1,3(3H)-diol |
| 49388 | ZME ZINC000238509705 |
1 | C10 H9 N5 | InChI=1S/C10H9N5/c1-7-2-3 -15(4-7)10-8-9(12-5-11-8) 13-6-14-10/h2-6H,1H3,(H,1 1,12,13,14); BCVQNVIMHTYJMD-UHFFFAOYSA-N |
Cc1ccn(c1)c2ncnc3[nH]cnc23; Cc1ccn(c1)c2 c3c([nH]cn3)ncn2; Cc1ccn(c1)c2c3c(ncn2)n cn3 |
6-(3-methyl-1H-pyrrol-1-yl)-9H-purine |
| 49389 | ZMG CHEMBL392452 DB08771 ZINC000016052518 |
4 | C12 H13 F N2 O S | InChI=1S/C12H13FN2OS/c1-7 (2)10-11(16)15-12(17-10)1 4-9-6-4-3-5-8(9)13/h3-7,1 0H,1-2H3,(H,14,15,16)/t10 -/m1/s1; OJJBBNIYQKFZDK-SNVBAGLBSA-N |
CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F; CC(C)C1C (=O)N=C(S1)Nc2ccccc2F; CC(C)[C@H]1SC(=NC 1=O)Nc2ccccc2F; Fc1ccccc1NC2=NC(=O)C(S2) C(C)C; CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2 F |
(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one; (R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one |
| 49390 | ZMH | 9 | C18 H18 Br F2 N5 O2 | InChI=1S/C18H18BrF2N5O2/c 1-24-7-10(20)8-26-16(17(2 4)27)12-9-25(5-4-15(12)23 -26)18(28)22-11-2-3-14(21 )13(19)6-11/h2-3,6,10H,4- 5,7-9H2,1H3,(H,22,28)/t10 -/m1/s1; HKVGNSIAARSCKF-SNVBAGLBSA-N |
CN1CC(Cn2c(c3c(n2)CCN(C3)C(=O)Nc4ccc(c(c 4)Br)F)C1=O)F; CN1C[C@H](Cn2c(c3c(n2)CCN (C3)C(=O)Nc4ccc(c(c4)Br)F)C1=O)F; Fc1ccc (cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2 CC1; CN1C[CH](F)Cn2nc3CCN(Cc3c2C1=O)C(=O )Nc4ccc(F)c(Br)c4; CN1C[C@@H](F)Cn2nc3CC N(Cc3c2C1=O)C(=O)Nc4ccc(F)c(Br)c4 |
(6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| 49391 | ZMI CHEMBL1557166 ZINC000000151474 |
3 | C11 H10 F N3 O2 | InChI=1S/C11H10FN3O2/c1-7 -6-10(15-17-7)11(16)14-13 -9-5-3-2-4-8(9)12/h2-6,13 H,1H3,(H,14,16); VNJQNKZHKFEHID-UHFFFAOYSA-N |
Cc1cc(no1)C(=O)NNc2ccccc2F; Cc1onc(c1)C( =O)NNc2ccccc2F |
~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide |
| 49392 | ZMJ CHEMBL4227788 |
3 | C18 H18 N2 O3 S | InChI=1S/C18H18N2O3S/c1-3 -24(22,23)19-14-8-6-7-13( 11-14)17-12-20(2)18(21)16 -10-5-4-9-15(16)17/h4-12, 19H,3H2,1-2H3; QIEVBHRUPLMWFP-UHFFFAOYSA-N |
CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2ccc c3)C; CCS(=O)(=O)Nc1cccc(c1)C1=CN(C)C(=O )c2ccccc12; CC[S](=O)(=O)Nc1cccc(c1)C2=C N(C)C(=O)c3ccccc23 |
N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide |
| 49393 | ZMK ZINC000098209668 |
2 | C19 H35 N2 O10 P S | InChI=1S/C19H35N2O10PS/c1 -19(2,13-31-32(27,28)29)1 7(25)18(26)21-10-9-14(22) 20-11-12-33-16(24)8-6-4-5 -7-15(23)30-3/h17,25H,4-1 3H2,1-3H3,(H,20,22)(H,21, 26)(H2,27,28,29)/t17-/m1/ s1; HCFLUHFHCAMJNF-QGZVFWFLSA-N |
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)( O)O)CCCCCC(=O)OC; CC(C)(COP(=O)(O)O)C(C( =O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O; CC(C )(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC( =O)CCCCCC(=O)OC)O; COC(=O)CCCCCC(=O)SCCN C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O ; COC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@ H](O)C(C)(C)CO[P](O)(O)=O |
methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate |
| 49394 | ZMM CHEMBL5170344 |
3 | C20 H18 N2 O2 | InChI=1S/C20H18N2O2/c1-21 -13-18(16-8-2-3-9-17(16)2 0(21)24)14-6-4-7-15(12-14 )22-11-5-10-19(22)23/h2-4 ,6-9,12-13H,5,10-11H2,1H3; IQHRPUHKLPCOKF-UHFFFAOYSA-N |
CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O; CN1C=C(c2cccc(c2)N3CCCC3=O)c4ccccc4C1=O ; O=C1CCCN1c1cccc(c1)C1=CN(C)C(=O)c2cccc c12 |
2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one |
| 49395 | ZMN | 1 | C20 H24 Br N3 O4 | InChI=1S/C20H24BrN3O4/c1- 15-4-2-5-16(14-15)27-13-3 -8-22-20(26)24-11-9-23(10 -12-24)19(25)17-6-7-18(21 )28-17/h2,4-7,14H,3,8-13H 2,1H3,(H,22,26); SCRILDURHLVTAB-UHFFFAOYSA-N |
Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3cc c(o3)Br; Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(= O)c3oc(Br)cc3)c1; O=C(N1CCN(CC1)C(=O)NCC COc1cc(C)ccc1)c1ccc(Br)o1 |
4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide |
| 49396 | ZMO ZINC000584905717 |
4 | C29 H55 N2 O8 P S | InChI=1S/C29H55N2O8PS/c1- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-26(33)41 -23-22-30-25(32)20-21-31- 28(35)27(34)29(2,3)24-39- 40(36,37)38/h11-12,27,34H ,4-10,13-24H2,1-3H3,(H,30 ,32)(H,31,35)(H2,36,37,38 )/b12-11-/t27-/m1/s1; AINKKKUPSQZPIP-FRSJXWKWSA-N |
CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O) [CH](O)C(C)(C)CO[P](O)(O)=O; OP(=O)(OCC( C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C =C/CCCCCCCC)O; CCCCCCCC/C=C\CCCCCCCC(=O) SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O) O)O; CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)C CNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; CC CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C( C(C)(C)COP(=O)(O)O)O |
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate |
| 49397 | ZMP ZINC000145431082 |
246 | C25 H49 N2 O8 P S | InChI=1S/C25H49N2O8PS/c1- 4-5-6-7-8-9-10-11-12-13-1 4-15-22(29)37-19-18-26-21 (28)16-17-27-24(31)23(30) 25(2,3)20-35-36(32,33)34/ h23,30H,4-20H2,1-3H3,(H,2 6,28)(H,27,31)(H2,32,33,3 4)/t23-/m1/s1; HDTINWYIVVMRIN-HSZRJFAPSA-N |
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H ](O)C(C)(C)CO[P](O)(O)=O; CCCCCCCCCCCCCC (=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O) O)O; OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCC CCCCCCCCCC)=O)O)(C)C)O; CCCCCCCCCCCCCC(= O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O )(O)=O; CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC( =O)[C@H](C(C)(C)COP(=O)(O)O)O |
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate |
| 49398 | ZMQ ZINC000145431302 |
4 | C27 H51 N2 O8 P S | InChI=1S/C27H51N2O8PS/c1- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-24(31)39-21-20 -28-23(30)18-19-29-26(33) 25(32)27(2,3)22-37-38(34, 35)36/h9-10,25,32H,4-8,11 -22H2,1-3H3,(H,28,30)(H,2 9,33)(H2,34,35,36)/b10-9- /t25-/m1/s1; IKLUIZJWBLJHAQ-HAAQQRBASA-N |
CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O) [C@@H](O)C(C)(C)CO[P](O)(O)=O; CCCCCCC=C CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C) (C)CO[P](O)(O)=O; CCCCCCC=CCCCCCCCC(=O)S CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O) [C@H](C(C)(C)COP(=O)(O)O)O; OP(=O)(OCC(C )(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C= C/CCCCCC)O |
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate |
| 49399 | ZMR CHEMBL222813 DB00558 ZINC000003918138 |
58 | C12 H20 N4 O7 | InChI=1S/C12H20N4O7/c1-4( 18)15-8-5(16-12(13)14)2-7 (11(21)22)23-10(8)9(20)6( 19)3-17/h2,5-6,8-10,17,19 -20H,3H2,1H3,(H,15,18)(H, 21,22)(H4,13,14,16)/t5-,6 +,8+,9+,10+/m0/s1; ARAIBEBZBOPLMB-UFGQHTETSA-N |
CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH]( O)[CH](O)CO)C(O)=O; C(=O)(O)C1=CC(C(NC(= O)C)C(O1)C(O)C(O)CO)N\C(=N)N; CC(=O)N[C@ @H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C @H](O)CO)C(O)=O; CC(=O)NC1C(C=C(OC1C(C(C O)O)O)C(=O)O)NC(=N)N; [H]/N=C(\N)/N[C@H] 1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H] (CO)O)O)C(=O)O |
ZANAMIVIR; 4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID; 4-guanidino-Neu5Ac2en; MODIFIED SIALIC ACID |
| 49400 | ZMS CHEMBL5204093 |
4 | C62 H76 Cl2 F2 N14 O11 S2 | InChI=1S/C62H76Cl2F2N14O1 1S2/c1-37-33-67-59(75-55( 37)69-43-11-15-47(63)51(3 1-43)77-92(85,86)61(3,4)5 )73-41-9-13-45(49(65)29-4 1)57(83)71-39-17-21-79(22 -18-39)53(81)35-90-27-25- 89-26-28-91-36-54(82)80-2 3-19-40(20-24-80)72-58(84 )46-14-10-42(30-50(46)66) 74-60-68-34-38(2)56(76-60 )70-44-12-16-48(64)52(32- 44)78-93(87,88)62(6,7)8/h 9-16,29-34,39-40,77-78H,1 7-28,35-36H2,1-8H3,(H,71, 83)(H,72,84)(H2,67,69,73, 75)(H2,68,70,74,76); QKJZSKDMERAPEK-UHFFFAOYSA-N |
Cc1cnc(Nc2ccc(c(F)c2)C(=O)N[C@@H]3CCN(CC 3)C(=O)COCCOCCOCC(=O)N4CC[C@@H](CC4)NC(= O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)( =O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(Cl)c(N[ S](=O)(=O)C(C)(C)C)c8; CC(C)(C)S(=O)(=O) Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C (=O)NC1CCN(CC1)C(=O)COCCOCCOCC(=O)N1CCC( NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O) C(C)(C)C)c4)c(C)cn3)cc2F)CC1; Cc1cnc(Nc2 ccc(c(F)c2)C(=O)N[CH]3CCN(CC3)C(=O)COCCO CCOCC(=O)N4CC[CH](CC4)NC(=O)c5ccc(Nc6ncc (C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7 )n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C) (C)C)c8; Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O )C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(C C4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)c6 ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)( =O)C(C)(C)C)Cl)C |
N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} |