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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 22601 |  GYN ZINC000082874037 |
10 | C32 H47 N O4 | InChI=1S/C32H47NO4/c1-19- 8-6-9-29-32(13-7-15-33-29 )14-12-25(28-18-22(4)31(3 5)37-28)23(5)26(32)17-20( 2)27(34)11-10-24-16-21(3) 30(19)36-24/h8,17,21-22,2 4,26-28,30,34H,6-7,9-16,1 8H2,1-5H3/b19-8+,20-17+/t 21-,22+,24+,26+,27+,28+,3 0+,32+/m1/s1; LFQBHRXYGKMZFS-XGHAUHBHSA-N |
O=C5OC(C3=C(C2C=C(C(O)CCC4OC(C(=CCCC1=NC CCC12CC3)C)C(C)C4)C)C)CC5C; C[C@@H]1C[C@ @H]2CC[C@H](O)C(=C/[C@H]3C(=C(CC[C@@]34C CCN=C4CC/C=C(C)/[C@@H]1O2)[C@@H]5C[C@H]( C)C(=O)O5)C)/C; CC1CC2CCC(C(=CC3C(=C(CCC 34CCCN=C4CCC=C(C1O2)C)C5CC(C(=O)O5)C)C)C )O; C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H] 3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2) /C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O; C[CH ]1C[CH]2CC[CH](O)C(=C[CH]3C(=C(CC[C]34CC CN=C4CCC=C(C)[CH]1O2)[CH]5C[CH](C)C(=O)O 5)C)C |
GYMNODIMINE A |
| 22602 |  GYO ZINC000069537463 |
3 | C18 H17 N3 O2 | InChI=1S/C18H17N3O2/c1-23 -17-5-3-2-4-12(17)13-9-15 (13)21-18(22)11-6-7-14-16 (8-11)20-10-19-14/h2-8,10 ,13,15H,9H2,1H3,(H,19,20) (H,21,22)/t13-,15-/m0/s1; ZKYVGLRMGWYWNE-ZFWWWQNUSA-N |
COc1ccccc1[CH]2C[CH]2NC(=O)c3ccc4nc[nH]c 4c3; COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3cc c4nc[nH]c4c3; COc1ccccc1[C@@H]2C[C@@H]2N C(=O)c3ccc4c(c3)[nH]cn4; COc1ccccc1C2CC2 NC(=O)c3ccc4c(c3)[nH]cn4 |
~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide |
| 22603 |  GYP CHEMBL131853 ZINC000003861272 |
31 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-7- 6(11)5(10)4(9)3(2-8)13-7/ h3-11H,2H2,1H3/t3-,4-,5+, 6-,7+/m1/s1; HOVAGTYPODGVJG-ZFYZTMLRSA-N |
OC1C(O)C(O)C(OC1OC)CO; CO[C@@H]1[C@@H]([ C@H]([C@@H]([C@H](O1)CO)O)O)O; CO[C@H]1O [C@H](CO)[C@@H](O)[C@H](O)[C@H]1O; CO[CH ]1O[CH](CO)[CH](O)[CH](O)[CH]1O; COC1C(C (C(C(O1)CO)O)O)O |
methyl alpha-D-glucopyranoside; METHYL-ALPHA-D-GLUCOPYRANOSIDE; ALPHA-METHYL-D-GLUCOPYRANOSIDE; methyl alpha-D-glucoside; methyl D-glucoside; methyl glucoside |
| 22604 |  GYQ |
2 | C18 H17 N7 O2 | InChI=1S/C18H17N7O2/c19-8 -7-11-3-5-12(6-4-11)25-15 -14(23-18(25)27)10-21-17( 24-15)22-13-2-1-9-20-16(1 3)26/h1-2,9-12H,3-7H2,(H, 23,27)/b22-13+/t11-,12-; JCBSNZZSUFHWSE-UGHOIBRWSA-N |
O=C1Nc2cnc(N=C3C=CC=NC3=O)nc2N1[C@@H]4CC [C@H](CC4)CC#N; c1c2c(nc(n1)/N=C/3\C=CC= NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N; O=C1Nc2c nc(N=C3C=CC=NC3=O)nc2N1[CH]4CC[CH](CC4)C C#N; c1c2c(nc(n1)N=C3C=CC=NC3=O)N(C(=O)N 2)C4CCC(CC4)CC#N |
2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile |
| 22605 |  GYR CHEMBL3134157 ZINC000094568743 |
2 | C27 H31 N O4 S | InChI=1S/C27H31NO4S/c1-21 -14-24(20-33(30,31)27-7-3 -2-4-8-27)16-26(15-21)32- 19-23-11-9-22(10-12-23)17 -28-13-5-6-25(28)18-29/h2 -4,7-12,14-16,25,29H,5-6, 13,17-20H2,1H3/t25-/m1/s1; NPUXORBZRBIOMQ-RUZDIDTESA-N |
Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCCC3CO)CS(=O )(=O)c4ccccc4; Cc1cc(cc(c1)OCc2ccc(cc2)C N3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4; Cc1cc (C[S](=O)(=O)c2ccccc2)cc(OCc3ccc(CN4CCC[ C@@H]4CO)cc3)c1; O=S(=O)(c1ccccc1)Cc4cc( cc(OCc2ccc(cc2)CN3C(CCC3)CO)c4)C; Cc1cc( C[S](=O)(=O)c2ccccc2)cc(OCc3ccc(CN4CCC[C H]4CO)cc3)c1 |
{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL; PF-543 |
| 22606 |  GYS DB03537 ZINC000058627013 |
0 | C14 H15 N3 O5 | InChI=1S/C14H15N3O5/c15-1 0(7-18)13-16-11(14(22)17( 13)6-12(20)21)5-8-1-3-9(1 9)4-2-8/h1-5,10,18-19H,6- 7,15H2,(H,20,21)/b11-5-/t 10-/m0/s1; XSUILVORURXWDH-QIMWGGGBSA-N |
c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N) CC(=O)O)O; O=C1C(\N=C(N1CC(=O)O)C(N)CO)= C\c2ccc(O)cc2; N[C@@H](CO)C1=N\C(=C/c2cc c(O)cc2)C(=O)N1CC(O)=O; c1cc(ccc1C=C2C(= O)N(C(=N2)C(CO)N)CC(=O)O)O; N[CH](CO)C1= NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID; CHROMOPHORE (SER-TYR-GLY) |
| 22607 |  GYT ZINC000024942390 |
8 | C28 H50 N4 O17 | InChI=1S/C28H50N4O17/c1-1 5(35)31-19-23(39)21(37)17 (13-33)46-25(19)48-27(41) 29-5-3-7-43-9-11-45-12-10 -44-8-4-6-30-28(42)49-26- 20(32-16(2)36)24(40)22(38 )18(14-34)47-26/h17-26,33 -34,37-40H,3-14H2,1-2H3,( H,29,41)(H,30,42)(H,31,35 )(H,32,36)/t17-,18-,19-,2 0-,21-,22-,23-,24-,25-,26 -/m1/s1; RLNVSMVMMKEUND-VCVUPCPRSA-N |
CC(=O)NC1C(C(C(OC1OC(=O)NCCCOCCOCCOCCCNC (=O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H ]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@ H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C) CO)O)O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[ C@@H](CO)O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC( =O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@ H]2NC(C)=O; CC(=O)N[CH]1[CH](O)[CH](O)[C H](CO)O[CH]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[ CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O; O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCCOCCO CCOCCCNC(=O)OC2OC(CO)C(O)C(O)C2NC(=O)C |
BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE |
| 22608 |  GYU ZINC000064417425 |
8 | C12 H22 N2 O7 | InChI=1S/C12H22N2O7/c1-3- 4-13-12(19)21-11-8(14-6(2 )16)10(18)9(17)7(5-15)20- 11/h7-11,15,17-18H,3-5H2, 1-2H3,(H,13,19)(H,14,16)/ t7-,8-,9-,10-,11-/m1/s1; WEAGJSCGQDTQRE-ISUQUUIWSA-N |
CCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H] (O)[C@H]1NC(C)=O; CCCNC(=O)O[C@@H]1[C@@H ]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C; CCCNC(=O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C; C CCNC(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH ]1NC(C)=O; O=C(OC1OC(C(O)C(O)C1NC(=O)C)C O)NCCC |
2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose; 2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLCARBAMOYL)-ALPHA-D-GLUCOPYRANOSE; N-acetyl-1-O-(propylcarbamoyl)-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-glucose |
| 22609 |  GYV ZINC000058627019 |
15 | C9 H16 N2 O7 | InChI=1S/C9H16N2O7/c1-3(1 3)11-5-7(15)6(14)4(2-12)1 7-8(5)18-9(10)16/h4-8,12, 14-15H,2H2,1H3,(H2,10,16) (H,11,13)/t4-,5-,6-,7-,8- /m1/s1; BMFDLZBABRHLIB-FMDGEEDCSA-N |
CC(=O)NC1C(C(C(OC1OC(=O)N)CO)O)O; CC(=O) N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC(N)= O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H] (CO)O[C@@H]1OC(N)=O; CC(=O)N[C@@H]1[C@H] ([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O; O= C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N |
2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose; 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE; 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucose; 2-acetamido-1-O-carbamoyl-2-deoxy-D-glucose; 2-acetamido-1-O-carbamoyl-2-deoxy-glucose |
| 22610 |  GYW CHEMBL4467503 |
4 | C20 H19 N7 O3 | InChI=1S/C20H19N7O3/c21-9 -13-1-2-17-22-10-15(26(17 )12-13)18-23-11-16-19(24- 18)27(14-3-7-30-8-4-14)20 (29)25(16)5-6-28/h1-2,10- 12,14,28H,3-8H2; RJIVCYWQVNETLQ-UHFFFAOYSA-N |
OCCN1C(=O)N(C2CCOCC2)c3nc(ncc13)c4cnc5cc c(cn45)C#N; c1cc2ncc(n2cc1C#N)c3ncc4c(n3 )N(C(=O)N4CCO)C5CCOCC5 |
3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile |
| 22611 |  GYX CHEMBL3233809 ZINC000169312118 |
4 | C27 H31 N3 O2 | InChI=1S/C27H31N3O2/c1-19 (25-12-6-9-22-8-3-4-11-26 (22)25)30-15-13-23(14-16- 30)27(32)28-18-21-7-5-10- 24(17-21)29-20(2)31/h3-12 ,17,19,23H,13-16,18H2,1-2 H3,(H,28,32)(H,29,31)/t19 -/m1/s1; YQRGVYYHRJBSOR-LJQANCHMSA-N |
C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc 4cccc(c4)NC(=O)C; CC(c1cccc2c1cccc2)N3CC C(CC3)C(=O)NCc4cccc(c4)NC(=O)C; C[CH](N1 CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4 ccccc34; C[C@@H](N1CCC(CC1)C(=O)NCc2cccc (NC(C)=O)c2)c3cccc4ccccc34 |
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
| 22612 |  GYY CHEMBL25101 ZINC000004654875 |
1 | C22 H34 N4 O | InChI=1S/C22H34N4O/c23-12 -6-15-24-13-3-4-14-25-16- 7-17-26-22(27)18-20-10-5- 9-19-8-1-2-11-21(19)20/h1 -2,5,8-11,24-25H,3-4,6-7, 12-18,23H2,(H,26,27); ZUINPPQIQARTKX-UHFFFAOYSA-N |
c1cc2ccccc2c(c1)CC(=O)NCCCNCCCCNCCCN; c1 ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN; NCCC NCCCCNCCCNC(=O)Cc1cccc2ccccc12 |
N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide |
| 22613 |  GYZ |
2 | C13 H16 N2 O6 | InChI=1S/C13H16N2O6/c1-7- 9(16)10(17)11(18)12(20-7) 15-21-13(19)14-8-5-3-2-4- 6-8/h2-7,9-11,16-18H,1H3, (H,14,19)/b15-12-/t7-,9+, 10+,11-/m0/s1; PUWMVMHIUFKDRR-SLDBRONRSA-N |
CC1C(C(C(C(=NOC(=O)Nc2ccccc2)O1)O)O)O; C [C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2 ccccc2)/O1)O)O)O; C[CH]1OC(=NOC(=O)Nc2cc ccc2)[CH](O)[CH](O)[CH]1O; C[C@@H]1OC(=N \OC(=O)Nc2ccccc2)/[C@@H](O)[C@H](O)[C@@H ]1O |
[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate |
| 22614 |  GZ0 |
2 | C17 H27 N5 O17 P2 | InChI=1S/C17H27N5O17P2/c1 8-17-20-13-6(14(30)21-17) 19-3-22(13)15-10(28)7(25) 5(36-15)2-35-40(31,32)39- 41(33,34)38-16-11(29)8(26 )9(27)12(37-16)4(24)1-23/ h3-5,7-12,15-16,23-29H,1- 2H2,(H,31,32)(H,33,34)(H3 ,18,20,21,30)/t4-,5+,7+,8 -,9-,10+,11-,12-,15+,16+/ m0/s1; HRUXIQZFNLQZQA-CWXUXUPESA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO P(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@ @H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=N C2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP (=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)NC (=NC2=O)N; OP(OC1OC(C(C(C1O)O)O)C(O)CO)( =O)OP(=O)(O)OCC2C(O)C(C(O2)n3cnc4c3NC(=N C4=O)N)O; NC1=NC(=O)c2ncn([C@@H]3O[C@H]( CO[P](O)(=O)O[P](O)(=O)O[C@H]4O[C@@H]([C @@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@ H](O)[C@H]3O)c2N1; NC1=NC(=O)c2ncn([CH]3 O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH] ([CH](O)CO)[CH](O)[CH](O)[CH]4O)[CH](O)[ CH]3O)c2N1 |
[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate |
| 22615 |  GZ2 CHEMBL1213369 DB07865 ZINC000004401406 |
2 | C7 H9 N5 O | InChI=1S/C7H9N5O/c13-6-3- 1-2-5(4-6)8-7-9-11-12-10- 7/h4H,1-3H2,(H2,8,9,10,11 ,12); REZXFQGPXQJVJG-UHFFFAOYSA-N |
O=C2C=C(Nc1nnnn1)CCC2; C1CC(=CC(=O)C1)Nc 2[nH]nnn2; O=C1CCCC(=C1)Nc2[nH]nnn2 |
3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one |
| 22616 |  GZ3 CHEMBL1818156 |
8 | C4 H7 O5 P | InChI=1S/C4H7O5P/c1-3(4(5 )6)2-10(7,8)9/h2H,1H3,(H, 5,6)(H2,7,8,9)/b3-2+; XGDAHZFVQMTYCT-NSCUHMNNSA-N |
CC(=C/[P](O)(O)=O)\C(O)=O; C/C(=C\P(=O)( O)O)/C(=O)O; CC(=CP(=O)(O)O)C(=O)O; CC(= C[P](O)(O)=O)C(O)=O; O=P(O)(O)\C=C(\C(=O )O)C |
(E)-2-METHYL-3-PHOSPHONOACRYLATE |
| 22617 |  GZ4 |
0 | C21 H21 N4 O2 | InChI=1S/C21H20N4O2/c1-13 -11-16-17(12-14(13)2)25(1 0-6-9-15-7-4-3-5-8-15)19- 18(22-16)20(26)24-21(27)2 3-19/h3-5,7-8,11-12H,6,9- 10H2,1-2H3,(H,24,26,27)/p +1; LVUMBLZQGDFTPC-UHFFFAOYSA-O |
c13C(NC(=O)Nc1[n+](c2cc(C)c(cc2n3)C)CCCc 4ccccc4)=O; Cc1cc2c(cc1C)[n+](c3c(n2)C(= O)NC(=O)N3)CCCc4ccccc4; Cc1cc2nc3C(=O)NC (=O)Nc3[n+](CCCc4ccccc4)c2cc1C |
7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium |
| 22618 |  GZ5 CHEMBL4596195 |
1 | C30 H36 Cl N5 O | InChI=1S/C30H36ClN5O/c31- 21-13-14-24-28(18-21)36-2 7-12-6-4-10-23(27)29(24)3 3-15-7-1-2-8-16-34-30(37) 25(32)17-20-19-35-26-11-5 -3-9-22(20)26/h3,5,9,11,1 3-14,18-19,25,35H,1-2,4,6 -8,10,12,15-17,32H2,(H,33 ,36)(H,34,37)/t25-/m1/s1; MSZVAOQNSCIOAB-RUZDIDTESA-N |
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCN c3c4ccc(cc4nc5c3CCCC5)Cl)N; N[CH](Cc1c[n H]c2ccccc12)C(=O)NCCCCCCNc3c4CCCCc4nc5cc (Cl)ccc35; c1ccc2c(c1)c(c[nH]2)CC(C(=O)N CCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N; N[C@H ](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc3c4CCC Cc4nc5cc(Cl)ccc35 |
(2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide |
| 22619 |  GZ6 |
9 | C H6 N3 | InChI=1S/CH5N3/c2-1(3)4/h (H5,2,3,4)/p+1; ZRALSGWEFCBTJO-UHFFFAOYSA-O |
C(=[NH2+])(N)N; NC(N)=[NH2+]; C(\N)(N)=[ NH2+] |
Guanidinium |
| 22620 |  GZ7 |
0 | C23 H30 N5 O4 | InChI=1S/C23H29N5O4/c1-14 -12-17-18(13-16(14)24-15- 8-5-6-9-15)28(11-7-3-2-4- 10-19(29)30)21-20(25-17)2 2(31)27-23(32)26-21/h12-1 3,15H,2-11H2,1H3,(H3,24,2 6,27,29,30,31,32)/p+1; AJTKEKBUVMMJJR-UHFFFAOYSA-O |
c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c( cc3n2)C)NC4CCCC4)O; Cc1cc2c(cc1NC3CCCC3) [n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O; Cc 1cc2nc3c(O)nc(O)nc3[n+](CCCCCCC(O)=O)c2c c1NC4CCCC4 |
10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium |
| 22621 |  GZ8 |
1 | C8 H6 O4 S | InChI=1S/C8H6O4S/c9-7(10) 5-2-1-4(13)3-6(5)8(11)12/ h1-3,5H,(H,9,10)(H,11,12) /t5-/m1/s1; KNBOUYAMGNHOJT-RXMQYKEDSA-N |
OC(=O)[CH]1C=CC(=S)C=C1C(O)=O; OC(=O)[C@ @H]1C=CC(=S)C=C1C(O)=O; C1=CC(=S)C=C(C1C (=O)O)C(=O)O |
4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid |
| 22622 |  GZ9 |
1 | C30 H41 N3 O5 | InChI=1S/C30H41N3O5/c1-17 -21-13-10-16-37-23(21)15- 14-22(17)25-19(3)31-27(33 -29(36)32-20-11-8-7-9-12- 20)18(2)24(25)26(28(34)35 )38-30(4,5)6/h14-15,20,26 H,7-13,16H2,1-6H3,(H,34,3 5)(H2,31,32,33,36)/t26-/m 0/s1; ATDWVFXTYCESIG-SANMLTNESA-N |
Cc1nc(NC(=O)NC2CCCCC2)c(C)c([C@H](OC(C)( C)C)C(O)=O)c1c3ccc4OCCCc4c3C; Cc1c(ccc2c 1CCCO2)c3c(nc(c(c3C(C(=O)O)OC(C)(C)C)C)N C(=O)NC4CCCCC4)C; Cc1c(ccc2c1CCCO2)c3c(n c(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC 4CCCCC4)C; Cc1nc(NC(=O)NC2CCCCC2)c(C)c([ CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C |
(2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 22623 |  GZA CHEMBL3771180 ZINC000221167567 |
1 | C17 H13 N5 O2 | InChI=1S/C17H13N5O2/c23-1 6-14-6-7-18-9-15(14)20-17 (21-16)24-13-8-19-22(11-1 3)10-12-4-2-1-3-5-12/h1-9 ,11H,10H2,(H,20,21,23); ZTYRLXUTLYBVHH-UHFFFAOYSA-N |
c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3 ; C(c1ccccc1)n2cc(cn2)OC=4NC(c3ccncc3N=4 )=O; O=C1NC(=Nc2cnccc12)Oc3cnn(Cc4ccccc4 )c3 |
2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one |
| 22624 |  GZB CHEMBL461 DB16842 ZINC000006344064 |
0 | C9 H9 N O3 | InChI=1S/C9H9NO3/c11-8(12 )6-10-9(13)7-4-2-1-3-5-7/ h1-5H,6H2,(H,10,13)(H,11, 12); QIAFMBKCNZACKA-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1ccccc1; c1ccc(cc1)C(=O)NC C(=O)O |
2-benzamidoethanoic acid |
| 22625 |  GZC ZINC000058650039 |
1 | C18 H22 N8 O2 | InChI=1S/C18H22N8O2/c19-1 7(20)25-13-1-3-15(27)11(7 -13)9-23-5-6-24-10-12-8-1 4(26-18(21)22)2-4-16(12)2 8/h1-4,7-10,27-28H,5-6H2, (H4,19,20,25)(H4,21,22,26 )/b23-9+,24-10+; VDYARAMMHWMLLR-WDBPGAOMSA-N |
[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(c cc(c2)N/C(=N/[H])/N)O)/N; c1cc(c(cc1NC(= N)N)C=NCCN=Cc2cc(ccc2O)NC(=N)N)O; NC(=N) Nc1ccc(O)c(C=NCCN=Cc2cc(NC(N)=N)ccc2O)c1 |
N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine |
| 22626 |  GZD |
1 | C19 H37 N2 | InChI=1S/C19H37N2/c1-21(2 ,3)8-6-4-5-7-20-15-19-12- 16-9-17(13-19)11-18(10-16 )14-19/h16-18,20H,4-15H2, 1-3H3/q+1/t16-,17+,18-,19 -; IWYZMMIPAJDJBN-WAAHFUDESA-N |
C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2; C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2; C[N+](CCCCCNCC13CC2CC(C1)CC(C2)C3)(C)C |
N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium |
| 22627 |  GZE CHEMBL4465167 |
2 | C14 H11 Cl F3 N3 O4 S | InChI=1S/C14H11ClF3N3O4S/ c15-12-6-3-9(7-11(12)14(1 6,17)18)21-13(22)20-8-1-4 -10(5-2-8)25-26(19,23)24/ h1-7H,(H2,19,23,24)(H2,20 ,21,22); MPRZOKLPIVROML-UHFFFAOYSA-N |
c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)O S(=O)(=O)N; N[S](=O)(=O)Oc1ccc(NC(=O)Nc2 ccc(Cl)c(c2)C(F)(F)F)cc1 |
[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate |
| 22628 |  GZF |
1 | C10 H15 N5 O10 P2 S | InChI=1S/C10H15N5O10P2S/c 11-10-13-7-4(8(18)14-10)1 2-2-15(7)9-6(17)5(16)3(24 -9)1-23-26(19,20)25-27(21 ,22)28/h2-3,5-6,9,16-17H, 1H2,(H,19,20)(H2,21,22,28 )(H3,11,13,14,18)/t3-,5+, 6+,9+/m1/s1; QJXJXBXFIOTYHB-KHLHZJAASA-N |
Nc1nc(O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P ](O)(O)=S)[CH](O)[CH]3O)c2n1; Nc1nc(O)c2 ncn([C@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)= S)[C@H](O)[C@@H]3O)c2n1; c1nc2c(n1C3C(C( C(O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N; c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)CO P(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N |
[(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate |
| 22629 |  GZG |
0 | C25 H27 N5 O4 | InChI=1S/C25H27N5O4/c1-16 -13-19-20(14-17(16)2)30(2 3-22(26-19)24(33)28-25(34 )27-23)12-11-29(10-6-9-21 (31)32)15-18-7-4-3-5-8-18 /h3-5,7-8,13-14H,6,9-12,1 5H2,1-2H3,(H,31,32)(H,28, 33,34); UHJZDXGBGFJXSS-UHFFFAOYSA-N |
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O )Cc4ccccc4)c2cc1C; Cc1cc2c(cc1C)N(C3=NC( =O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4; C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC( =O)N=C23)=O)cc(c(c4)C)C |
4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid |
| 22630 |  GZH CHEMBL4457039 |
2 | C16 H15 Cl F3 N3 O3 S | InChI=1S/C16H15ClF3N3O3S/ c17-14-6-3-11(9-13(14)16( 18,19)20)23-15(24)22-8-7- 10-1-4-12(5-2-10)27(21,25 )26/h1-6,9H,7-8H2,(H2,21, 25,26)(H2,22,23,24); FBVAPDWPSNARKD-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2 )C(F)(F)F)cc1; c1cc(ccc1CCNC(=O)Nc2ccc(c (c2)C(F)(F)F)Cl)S(=O)(=O)N |
1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea |
| 22631 |  GZI |
2 | C27 H34 F2 N4 O3 | InChI=1S/C27H34F2N4O3/c1- 16(27(34)35)15-33-17(2)13 -20-19-7-4-5-8-22(19)32-2 4(20)25(33)23-18(3)26(31- 14-21(23)29)36-12-11-30-1 0-6-9-28/h4-5,7-8,14,16-1 7,25,30,32H,6,9-13,15H2,1 -3H3,(H,34,35)/t16-,17-,2 5-/m1/s1; JMHAEPDWKOSCPH-RYUVBPIJSA-N |
Cc1c(c(cnc1OCCNCCCF)F)C2c3c(c4ccccc4[nH] 3)CC(N2CC(C)C(=O)O)C; C[C@@H]1Cc2c([nH]c 3ccccc23)[C@H](N1C[C@@H](C)C(O)=O)c4c(C) c(OCCNCCCF)ncc4F; Cc1c(c(cnc1OCCNCCCF)F) [C@@H]2c3c(c4ccccc4[nH]3)C[C@H](N2C[C@@H ](C)C(=O)O)C; C[CH]1Cc2c([nH]c3ccccc23)[ CH](N1C[CH](C)C(O)=O)c4c(C)c(OCCNCCCF)nc c4F |
(2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid |
| 22632 |  GZJ ZINC000004760975 |
0 | C6 H11 N O3 | InChI=1S/C6H11NO3/c1-3-5( 6(9)10)7-4(2)8/h5H,3H2,1- 2H3,(H,7,8)(H,9,10)/t5-/m 0/s1; WZVZUKROCHDMDT-YFKPBYRVSA-N |
CC[CH](NC(C)=O)C(O)=O; CC(NC(C(=O)O)CC)= O; CC[C@@H](C(=O)O)NC(=O)C; CC[C@H](NC(C )=O)C(O)=O; CCC(C(=O)O)NC(=O)C |
(2S)-2-(acetylamino)butanoic acid |
| 22633 |  GZK ZINC000016849818 |
1 | C16 H14 Cl2 N4 O3 S | InChI=1S/C16H14Cl2N4O3S/c 17-13-2-1-10(5-14(13)18)7 -21-9-19-15-12(16(21)23)6 -20-22(15)11-3-4-26(24,25 )8-11/h1-2,5-6,9,11H,3-4, 7-8H2/t11-/m1/s1; PPZWUQVIYVDZNY-LLVKDONJSA-N |
c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(= O)C4)C2=O)Cl)Cl; Clc1ccc(CN2C=Nc3n(ncc3C 2=O)[CH]4CC[S](=O)(=O)C4)cc1Cl; Clc1ccc( CN2C=Nc3n(ncc3C2=O)[C@@H]4CC[S](=O)(=O)C 4)cc1Cl; c1cc(c(cc1CN2C=Nc3c(cnn3C4CCS(= O)(=O)C4)C2=O)Cl)Cl |
1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one |
| 22634 |  GZL |
40 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2(8 )5-3(9)4(10)6(11)12-5/h2- 11H,1H2/t2-,3-,4-,5+,6-/m 1/s1; AVVWPBAENSWJCB-DGPNFKTASA-N |
C(C(C1C(C(C(O1)O)O)O)O)O; OC[CH](O)[CH]1 O[CH](O)[CH](O)[CH]1O; C(C([C@H]1C(C([C@ @H](O1)O)O)O)O)O; OC1C(OC(O)C1O)C(O)CO; OC[C@@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@H ]1O |
beta-D-galactofuranose; beta-D-galactose; D-galactose; galactose |
| 22635 |  GZM |
6 | C24 H28 Cl2 N2 O3 | InChI=1S/C24H28Cl2N2O3/c1 -3-27-23(30)24(8-10-28(11 -9-24)22(29)16-31-2)15-17 -4-6-18(7-5-17)19-12-20(2 5)14-21(26)13-19/h4-7,12- 14H,3,8-11,15-16H2,1-2H3, (H,27,30); CRYYCXAJUDVWAO-UHFFFAOYSA-N |
CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c 3cc(cc(c3)Cl)Cl; O=C(COC)N1CCC(Cc2ccc(cc 2)c2cc(Cl)cc(Cl)c2)(CC1)C(=O)NCC; CCNC(= O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(Cl )cc(Cl)c3 |
4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide |
| 22636 |  GZN CHEMBL4451624 |
1 | C21 H16 Cl2 N4 O2 | InChI=1S/C21H16Cl2N4O2/c1 -26-11-14(9-24-26)25-20(2 8)17-12-27(10-13-6-7-18(2 2)19(23)8-13)21(29)16-5-3 -2-4-15(16)17/h2-9,11-12H ,10H2,1H3,(H,25,28); ARDJWVHRRXSBIV-UHFFFAOYSA-N |
Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4 ccc(c(c4)Cl)Cl; Cn1cc(NC(=O)C2=CN(Cc3ccc (Cl)c(Cl)c3)C(=O)c4ccccc24)cn1 |
2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide |
| 22637 |  GZO CHEMBL2107834 DB08931 ZINC000003819392 |
4 | C20 H19 F N8 O2 | InChI=1S/C20H19FN8O2/c1-2 8(20(30)31-2)15-16(22)25- 18(26-17(15)23)14-12-7-5- 9-24-19(12)29(27-14)10-11 -6-3-4-8-13(11)21/h3-9H,1 0H2,1-2H3,(H4,22,23,25,26 ); WXXSNCNJFUAIDG-UHFFFAOYSA-N |
COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F )c4ncccc24; CN(c1c(nc(nc1N)c2c3cccnc3n(n 2)Cc4ccccc4F)N)C(=O)OC |
methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate |
| 22638 |  GZP ZINC000230472592 |
1 | C14 H16 N2 O | InChI=1S/C14H16N2O/c17-14 (8-4-5-9-14)13-10-12(15-1 6-13)11-6-2-1-3-7-11/h1-3 ,6-7,10,17H,4-5,8-9H2,(H, 15,16); GKHXBOMLCZWNOE-UHFFFAOYSA-N |
OC1(CCCC1)c2cc([nH]n2)c3ccccc3; c1ccc(cc 1)c2cc(n[nH]2)C3(CCCC3)O |
1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL |
| 22639 |  GZQ CHEMBL4592515 ZINC000000128993 |
2 | C9 H9 Cl2 N O | InChI=1S/C9H9Cl2NO/c1-6(1 3)12(2)9-4-3-7(10)5-8(9)1 1/h3-5H,1-2H3; NVSSRRQIUAFBIU-UHFFFAOYSA-N |
CC(=O)N(C)c1ccc(cc1Cl)Cl; CN(C(C)=O)c1cc c(Cl)cc1Cl |
~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide |
| 22640 |  GZR CHEMBL1224151 DB05171 ZINC000034997331 |
1 | C25 H26 F N3 O2 | InChI=1S/C25H26FN3O2/c1-1 7-15-28(16-27-17)23-11-6- 19(14-24(23)31-3)13-21-5- 4-12-29(25(21)30)18(2)20- 7-9-22(26)10-8-20/h6-11,1 3-16,18H,4-5,12H2,1-3H3/b 21-13+/t18-/m0/s1; PUOAETJYKQITMO-LANLRWRYSA-N |
COc1cc(ccc1n2cnc(C)c2)\C=C3/CCCN([C@@H]( C)c4ccc(F)cc4)C3=O; COc1cc(ccc1n2cnc(C)c 2)C=C3CCCN([CH](C)c4ccc(F)cc4)C3=O; Cc1c n(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C )c4ccc(cc4)F; Cc1cn(cn1)c2ccc(cc2OC)C=C3 CCCN(C3=O)C(C)c4ccc(cc4)F |
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one; E-2012 |
| 22641 |  GZS |
0 | C16 H17 N O5 S | InChI=1S/C16H17NO5S/c18-1 6(19)7-4-12-17-23(20,21)1 5-10-8-14(9-11-15)22-13-5 -2-1-3-6-13/h1-3,5-6,8-11 ,17H,4,7,12H2,(H,18,19); IALLXBXXANGXMF-UHFFFAOYSA-N |
OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1 ; c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCCCC(=O )O |
4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid |
| 22642 |  GZT ZINC000001391167 |
1 | C15 H12 F2 N2 O4 | InChI=1S/C15H12F2N2O4/c1- 18-13(20)10-3-2-6-19(14(1 0)21)8-9-4-5-11-12(7-9)23 -15(16,17)22-11/h2-7H,8H2 ,1H3,(H,18,20); AUOUHYVJJFEJOE-UHFFFAOYSA-N |
CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1= O; CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O 3)(F)F |
1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide |
| 22643 |  GZV |
1 | C11 H8 F2 O4 | InChI=1S/C11H8F2O4/c1-5-2 -3-6(12)9(10(5)13)7(14)4- 8(15)11(16)17/h2-4,15H,1H 3,(H,16,17)/b8-4-; KQRLRRKIOCIEAP-YWEYNIOJSA-N |
Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F; Cc1ccc (F)c(c1F)C(=O)C=C(O)C(O)=O; C(/C(c1c(ccc (C)c1F)F)=O)=C(\C(O)=O)O; Cc1ccc(F)c(c1F )C(=O)/C=C(O)/C(O)=O |
(2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid |
| 22644 |  GZW |
1 | C25 H24 Cl2 N6 O2 | InChI=1S/C25H24Cl2N6O2/c1 -32-13-17(10-30-32)31-24( 34)20-14-33(12-15-2-3-21( 26)22(27)8-15)25(35)19-11 -29-23(9-18(19)20)16-4-6- 28-7-5-16/h2-3,8-11,13-14 ,16,28H,4-7,12H2,1H3,(H,3 1,34); NMTYIOOSUPNCFS-UHFFFAOYSA-N |
Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4 CCNCC4)Cc5ccc(c(c5)Cl)Cl; Cn1cc(NC(=O)C2 =CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cnc(cc24)C5 CCNCC5)cn1 |
2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide |
| 22645 |  GZX CHEMBL1201752 DB04845 ZINC000003993846 |
1 | C27 H42 N2 O5 S | InChI=1S/C27H42N2O5S/c1-1 5-9-8-10-27(7)22(34-27)12 -20(16(2)11-19-14-35-18(4 )28-19)29-23(31)13-21(30) 26(5,6)25(33)17(3)24(15)3 2/h11,14-15,17,20-22,24,3 0,32H,8-10,12-13H2,1-7H3, (H,29,31)/b16-11+/t15-,17 +,20-,21-,22-,24-,27+/m0/ s1; FABUFPQFXZVHFB-PVYNADRNSA-N |
Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3 )(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC (=O)N2)O)(C)C)C)O)C)C; Cc1nc(cs1)C=C(C)C 2CC3C(O3)(CCCC(C(C(C(=O)C(C(CC(=O)N2)O)( C)C)C)O)C)C; C[CH]1CCC[C]2(C)O[CH]2C[CH] (NC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O )C(C)=Cc3csc(C)n3; C[C@H]1CCC[C@@]2(C)O[ C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[ C@H](C)[C@H]1O)C(/C)=C/c3csc(C)n3 |
(1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione; Ixabepilone |
| 22646 |  GZY ZINC000042009790 |
1 | C13 H17 N O2 | InChI=1S/C13H17NO2/c1-10( 15)14-8-4-7-13(14)11-5-3- 6-12(9-11)16-2/h3,5-6,9,1 3H,4,7-8H2,1-2H3/t13-/m0/ s1; BTTYWNVACUVDJT-ZDUSSCGKSA-N |
CC(=O)N1CCCC1c2cccc(c2)OC; COc1cccc(c1)[ C@@H]2CCCN2C(C)=O; C1C(N(C(=O)C)CC1)c2cc cc(c2)OC; CC(=O)N1CCC[C@H]1c2cccc(c2)OC; COc1cccc(c1)[CH]2CCCN2C(C)=O |
1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one |
| 22647 |  GZZ CHEMBL102276 ZINC000004098976 |
3 | C18 H41 N7 | InChI=1S/C18H41N7/c19-17( 20)24-15-11-7-3-1-5-9-13- 23-14-10-6-2-4-8-12-16-25 -18(21)22/h23H,1-16H2,(H4 ,19,20,24)(H4,21,22,25); RONFGUROBZGJKP-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H] )/N; NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N; [N @H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N; [ H]N=C(N)NCCCCCCCCNCCCCCCCCNC(=N[H])N |
N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE; GUAZATINE |
| 22648 |  H |
0 | H | ; |
[H+] | ETNAM H HYDROGEN ATOM |
| 22649 |  H00 CHEMBL1076479 ZINC000005112980 |
0 | C4 H8 O2 S | InChI=1S/C4H8O2S/c5-4(6)2 -1-3-7/h7H,1-3H2,(H,5,6); DTRIDVOOPAQEEL-UHFFFAOYSA-N |
C(CC(=O)O)CS; OC(=O)CCCS; C(C(=O)O)CCS | 4-sulfanylbutanoic acid |
| 22650 |  H01 |
2 | C30 H32 N4 O10 S2 | InChI=1S/C30H32N4O10S2/c1 -13-17(5-7-27(35)36)23-12 -24-18(6-8-28(37)38)14(2) 20(32-24)10-25-30(46(42,4 3)44)16(4)22(34-25)11-26- 29(45(39,40)41)15(3)21(33 -26)9-19(13)31-23/h9-12,3 1-34H,5-8H2,1-4H3,(H,35,3 6)(H,37,38)(H,39,40,41)(H ,42,43,44)/b19-9-,20-10-, 21-9-,22-11-,23-12-,24-12 -,25-10-,26-11-; VFNOXNYLBHFZNR-IZAUZZAISA-N |
Cc1c2[nH]c(c1CCC(=O)O)C=C3C(=C(C(=Cc4c(c (c([nH]4)C=C5C(=C(C(=C2)N5)S(=O)(=O)O)C) S(=O)(=O)O)C)N3)C)CCC(=O)O; CC1=C(CCC(O) =O)C2=Cc3[nH]c(C=C4NC(=Cc5[nH]c(C=C1N2)c (C)c5[S](O)(=O)=O)C(=C4[S](O)(=O)=O)C)c( C)c3CCC(O)=O; O=S(=O)(O)C5=C(C=2NC5=Cc1c (c(c(n1)C=C4NC(=Cc3c(c(c(C=2)n3)S(=O)(=O )O)C)C(=C4CCC(=O)O)C)CCC(=O)O)C)C; Cc1c\ 2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c( c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O )C)S(=O)(=O)O)C)/N3)C)CCC(=O)O; CC/1=C(C CC(O)=O)\C2=C\c3[nH]c(\C=C4/N\C(=C/c5[nH ]c(\C=C/1N2)c(C)c5[S](O)(=O)=O)C(=C4[S]( O)(=O)=O)C)c(C)c3CCC(O)=O |
PROTOPORPHYRIN IX 2,4-DISULFONIC ACID; 3,3'-(3,7,12,17-TETRAMETHYL-8,13-DISULFO-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID |
| 22651 |  H02 |
1 | C35 H42 N4 O4 | InChI=1S/C35H42N4O4/c1-8- 22-18(3)26-14-27-19(4)24( 10-12-34(40)41)29(36-27)1 5-30-25(11-13-35(42)43)20 (5)28(38-30)16-33-23(9-2) 21(6)32(39(33)7)17-31(22) 37-26/h14-17,36-38H,8-13H 2,1-7H3,(H,40,41)(H,42,43 )/b26-14-,27-14-,28-16-,2 9-15-,30-15-,31-17-,32-17 -,33-16-; VIEXPEPYGOTUBM-UQOLDQHFSA-N |
CCc1c(c2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4 )C=C5C(=C(C(=C2)N5)C)CCC(=O)O)CCC(=O)O)C )N3C)CC)C)C; CCc1c(c\2[nH]c1C=C3C(=C(C(= Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC (=O)O)CCC(=O)O)C)N3C)CC)C)C; CCc1c(C)c2[ nH]c1C=C3N(C)C(=Cc4[nH]c(C=C5NC(=C2)C(=C 5CCC(O)=O)C)c(CCC(O)=O)c4C)C(=C3C)CC; CC c1c(C)c\2[nH]c1\C=C3/N(C)/C(=C\c4[nH]c(\ C=C5/N\C(=C\2)C(=C5CCC(O)=O)C)c(CCC(O)=O )c4C)C(=C3C)CC; O=C(O)CCC5=C(C=2NC5=Cc1c (c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N 4C)C)CC)C)CCC(=O)O)C |
N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID; 3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID |
| 22652 |  H03 |
1 | C20 H30 N6 O5 S | InChI=1S/C20H30N6O5S/c1-4 -15-18(19(21)24-20(22)23- 15)31-13-7-12-30-16-9-6-5 -8-14(16)10-11-17(27)25-3 2(28,29)26(2)3/h5-6,8-9H, 4,7,10-13H2,1-3H3,(H,25,2 7)(H4,21,22,23,24); BPOQBXWDCPLQOH-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S] (=O)(=O)N(C)C; CCc1nc(N)nc(N)c1OCCCOc1cc ccc1CCC(=O)NS(=O)(=O)N(C)C; CCc1c(c(nc(n 1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C) C |
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide |
| 22653 |  H04 CHEMBL273923 ZINC000000120262 |
6 | C12 H18 N2 O | InChI=1S/C12H18N2O/c1-2-1 5-12-6-4-3-5-11(12)14-9-7 -13-8-10-14/h3-6,13H,2,7- 10H2,1H3; FBQIUSDQWOLCNY-UHFFFAOYSA-N |
N1(CCNCC1)c2ccccc2OCC; CCOc1ccccc1N2CCNC C2 |
1-(2-ethoxyphenyl)piperazine |
| 22654 |  H05 CHEMBL1603585 ZINC000000469823 |
1 | C12 H13 N5 | InChI=1S/C12H13N5/c1-2-5- 10-14-9-7-4-3-6-8(9)11-15 -12(13)16-17(10)11/h3-4,6 -7H,2,5H2,1H3,(H2,13,16); WFRPCMTYTZUBRF-UHFFFAOYSA-N |
CCCc1nc2ccccc2c3n1nc(n3)N; CCCc1nc2ccccc 2c3nc(N)nn13; n1c(n3nc(nc3c2c1cccc2)N)CC C |
5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine |
| 22655 |  H06 ZINC000058631813 |
5 | C14 H13 N5 O | InChI=1S/C14H13N5O/c15-13 (16)11-5-3-10(4-6-11)8-18 -19-14(20)12-2-1-7-17-9-1 2/h1-9H,(H3,15,16)(H,19,2 0)/b18-8+; DDBLYJHCQJAIJN-QGMBQPNBSA-N |
c1cc(cnc1)C(=O)NN=Cc2ccc(cc2)C(=N)N; [H] /N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N; NC(=N)c1ccc(cc1)C=NNC(=O)c2cccnc2; NC(=N )c1ccc(cc1)/C=N/NC(=O)c2cccnc2; O=C(N\N= C\c1ccc(C(=[N@H])N)cc1)c2cccnc2 |
(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide |
| 22656 |  H07 CHEMBL397985 ZINC000013816333 |
1 | C17 H17 Cl N5 O6 P S | InChI=1S/C17H17ClN5O6PS/c 1-26-13-12-10(6-27-30(24, 25)29-12)28-16(13)23-15-1 1(14(19)20-7-21-15)22-17( 23)31-9-4-2-8(18)3-5-9/h2 -5,7,10,12-13,16H,6H2,1H3 ,(H,24,25)(H2,19,20,21)/t 10-,12-,13-,16-/m1/s1; BCGHHRAUZWOTNH-XNIJJKJLSA-N |
Clc5ccc(Sc2nc1c(ncnc1n2C4OC3COP(=O)(OC3C 4OC)O)N)cc5; CO[CH]1[CH]2O[P](O)(=O)OC[C H]2O[CH]1n3c(Sc4ccc(Cl)cc4)nc5c(N)ncnc35 ; COC1C2C(COP(=O)(O2)O)OC1n3c4c(c(ncn4)N )nc3Sc5ccc(cc5)Cl; CO[C@@H]1[C@H]2[C@@H] (COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3S c5ccc(cc5)Cl; CO[C@@H]1[C@@H]2O[P](O)(=O )OC[C@H]2O[C@H]1n3c(Sc4ccc(Cl)cc4)nc5c(N )ncnc35 |
(2S,4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-7-methoxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide |
| 22657 |  H08 CHEMBL4544795 |
1 | C21 H17 Cl N4 O2 | InChI=1S/C21H17ClN4O2/c1- 25-12-16(10-23-25)24-20(2 7)19-13-26(11-14-6-8-15(2 2)9-7-14)21(28)18-5-3-2-4 -17(18)19/h2-10,12-13H,11 H2,1H3,(H,24,27); VTJCHYFOBHSRGI-UHFFFAOYSA-N |
Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)cc3)C(=O)c4c cccc24)cn1; Cn1cc(cn1)NC(=O)C2=CN(C(=O)c 3c2cccc3)Cc4ccc(cc4)Cl |
2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide |
| 22658 |  H09 |
2 | C27 H33 F4 N3 O2 | InChI=1S/C27H33F4N3O2/c1- 17-14-20-19-6-3-4-7-22(19 )33-25(20)26(34(17)15-27( 30,31)16-35)24-18(2)23(9- 8-21(24)29)36-13-12-32-11 -5-10-28/h3-4,6-9,17,26,3 2-33,35H,5,10-16H2,1-2H3/ t17-,26-/m1/s1; AJSOGGXGYQZCBL-WGDIFIGCSA-N |
C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F) CO)c4c(C)c(OCCNCCCF)ccc4F; Cc1c(ccc(c1C2 c3c(c4ccccc4[nH]3)CC(N2CC(CO)(F)F)C)F)OC CNCCCF; C[C@@H]1Cc2c([nH]c3ccccc23)[C@H] (N1CC(F)(F)CO)c4c(C)c(OCCNCCCF)ccc4F; Cc 1c(ccc(c1[C@@H]2c3c(c4ccccc4[nH]3)C[C@H] (N2CC(CO)(F)F)C)F)OCCNCCCF |
2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol |
| 22659 |  H0A |
1 | C15 H19 N O2 | InChI=1S/C15H19NO2/c1-12( 17)16-11-5-3-4-6-15(16)13 -7-9-14(18-2)10-8-13/h3-4 ,7-10,15H,5-6,11H2,1-2H3/ t15-/m0/s1; GDQRKUSTNBZDEQ-HNNXBMFYSA-N |
CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC; CC(=O) N1CCC=CCC1c2ccc(cc2)OC; COc1ccc(cc1)[CH] 2CC=CCCN2C(C)=O; COc1ccc(cc1)[C@@H]2CC=C CCN2C(C)=O; c1(ccc(cc1)OC)C2N(CCC=CC2)C( =O)C |
1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one |
| 22660 |  H0B CHEMBL4448440 |
1 | C20 H15 Cl2 N5 O2 | InChI=1S/C20H15Cl2N5O2/c1 -26-10-13(8-24-26)25-19(2 8)15-11-27(9-12-4-5-16(21 )17(22)7-12)20(29)14-3-2- 6-23-18(14)15/h2-8,10-11H ,9H2,1H3,(H,25,28); SVPAXEMWEZLCLS-UHFFFAOYSA-N |
Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4 ccc(c(c4)Cl)Cl; Cn1cc(NC(=O)C2=CN(Cc3ccc (Cl)c(Cl)c3)C(=O)c4cccnc24)cn1 |
6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide |
| 22661 |  H0C |
3 | C44 H52 O13 | InChI=1S/C44H52O13/c1-22- 36(49)38(57-39(51)34-27-9 -5-3-7-23(27)15-24-8-4-6- 10-28(24)34)37(50)40(55-2 2)56-26-17-32(47)43(21-45 )35-30(11-13-42(43,52)18- 26)44(53)14-12-29(25-16-3 3(48)54-20-25)41(44,2)19- 31(35)46/h3-10,15-16,22,2 6,29-32,35-38,40,45-47,49 -50,52-53H,11-14,17-21H2, 1-2H3/t22-,26-,29+,30+,31 +,32+,35+,36-,37+,38+,40- ,41+,42-,43+,44-/m0/s1; CSNRMZGUGASWCS-XLAOFTCCSA-N |
C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[ CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3( O)C2)C6=CC(=O)OC6)[CH](O)[CH](OC(=O)c7c8 ccccc8cc9ccccc79)[CH]1O; C[C@H]1[C@@H]([ C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@] 3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C @@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO) O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O; CC1C(C (C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5 (CC4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8 ccccc8cc9c7cccc9)O; C[C@@H]1O[C@@H](O[C@ H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@ ]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2 )C6=CC(=O)OC6)[C@H](O)[C@H](OC(=O)c7c8cc ccc8cc9ccccc79)[C@H]1O |
[(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate |
| 22662 |  H0D ZINC000000406752 |
3 | C11 H15 Cl N2 O2 | InChI=1S/C11H15ClN2O2/c1- 2-9(7-15)13-11(16)14-10-5 -3-8(12)4-6-10/h3-6,9,15H ,2,7H2,1H3,(H2,13,14,16)/ t9-/m1/s1; WLAQZHZJODLWGO-SECBINFHSA-N |
CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1; N(C(CO)C C)C(=O)Nc1ccc(cc1)Cl; CCC(CO)NC(=O)Nc1cc c(cc1)Cl; CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl ; CC[CH](CO)NC(=O)Nc1ccc(Cl)cc1 |
N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea |
| 22663 |  H0E ZINC000058631815 |
2 | C24 H29 N3 O4 S | InChI=1S/C24H29N3O4S/c1-2 4(2)15-25-23-22(28)20-13- 19(10-11-21(20)26(23)16-2 4)32(29,30)27-12-6-7-17(2 7)14-31-18-8-4-3-5-9-18/h 3-5,8-11,13,17,22,28H,6-7 ,12,14-16H2,1-2H3/t17-,22 -/m0/s1; RPXBZVLBDLIKLZ-JTSKRJEESA-N |
CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N @@]4CCC[C@H]4COc5ccccc5)O)C; CC1(C)CN=C2 [C@@H](O)c3cc(ccc3N2C1)[S](=O)(=O)N4CCC[ C@H]4COc5ccccc5; CC1(C)CN=C2[CH](O)c3cc( ccc3N2C1)[S](=O)(=O)N4CCC[CH]4COc5ccccc5 ; CC1(CN=C2C(c3cc(ccc3N2C1)S(=O)(=O)N4CC CC4COc5ccccc5)O)C; O=S(=O)(c3ccc2N1C(=NC C(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5 |
(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol |
| 22664 |  H0F |
0 | C13 H25 N3 O2 | InChI=1S/C13H25N3O2/c1-4- 9(2)12(15-3)13(18)16-7-5- 6-10(16)8-11(14)17/h9-10, 12,15H,4-8H2,1-3H3,(H2,14 ,17)/t9-,10-,12-/m0/s1; KQPMIECFIMHSIA-NHCYSSNCSA-N |
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1CC(=O)N )NC; CCC(C)C(C(=O)N1CCCC1CC(=O)N)NC; CC[ CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O; CC [C@H](C)[C@H](NC)C(=O)N1CCC[C@H]1CC(N)=O |
2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide |
| 22665 |  H0G CHEMBL1535102 ZINC000006726563 |
1 | C12 H12 N2 O2 | InChI=1S/C12H12N2O2/c1-9- 3-2-4-10(7-9)8-12(15)13-1 1-5-6-16-14-11/h2-7H,8H2, 1H3,(H,13,14,15); AFEIJLUSZUKBHP-UHFFFAOYSA-N |
N(C(Cc1cccc(C)c1)=O)c2ccon2; Cc1cccc(CC( =O)Nc2ccon2)c1; Cc1cccc(c1)CC(=O)Nc2ccon 2 |
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide |
| 22666 |  H0H CHEMBL4469510 ZINC000071284939 |
1 | C21 H18 N4 O2 | InChI=1S/C21H18N4O2/c1-24 -13-16(11-22-24)23-20(26) 19-14-25(12-15-7-3-2-4-8- 15)21(27)18-10-6-5-9-17(1 8)19/h2-11,13-14H,12H2,1H 3,(H,23,26); VTTHLQZKGGQAGE-UHFFFAOYSA-N |
Cn1cc(NC(=O)C2=CN(Cc3ccccc3)C(=O)c4ccccc 24)cn1; Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2c ccc3)Cc4ccccc4 |
~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide |
| 22667 |  H0I |
1 | C20 H28 N4 O4 | InChI=1S/C20H28N4O4/c1-2- 16-18(19(21)24-20(22)23-1 6)28-12-4-3-11-27-15-9-5- 7-14(13-15)8-6-10-17(25)2 6/h5,7,9,13H,2-4,6,8,10-1 2H2,1H3,(H,25,26)(H4,21,2 2,23,24); KNOJEXXGRAUIJA-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc 1; CCc1nc(N)nc(N)c1OCCCCOc2cccc(CCCC(O)= O)c2; CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2) CCCC(=O)O |
4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid |
| 22668 |  H0J ZINC000000158469 |
2 | C10 H8 N2 S2 | InChI=1S/C10H8N2S2/c11-10 (13)9-5-4-8(14-9)7-3-1-2- 6-12-7/h1-6H,(H2,11,13); VOYHCOULKKDLRP-UHFFFAOYSA-N |
c1ccnc(c1)c2ccc(s2)C(=S)N; n2c(c1sc(cc1) C(=S)N)cccc2; NC(=S)c1sc(cc1)c2ccccn2 |
5-(pyridin-2-yl)thiophene-2-carbothioamide |
| 22669 |  H0K CHEMBL232804 ZINC000028822276 |
1 | C23 H18 N2 O2 | InChI=1S/C23H18N2O2/c26-1 3-14-1-2-18-12-21-22(24-2 5-23(21)20(18)11-14)17-5- 3-15(4-6-17)16-7-9-19(27) 10-8-16/h1-11,26-27H,12-1 3H2,(H,24,25); BERKODPQGRAHDD-UHFFFAOYSA-N |
Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4cc(ccc4 C5)CO; c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3 )-c5cc(ccc5C4)CO; OCc1ccc2Cc3c([nH]nc3c2 c1)c4ccc(cc4)c5ccc(O)cc5 |
4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol |
| 22670 |  H0L |
2 | C24 H27 F2 N O3 | InChI=1S/C24H27F2NO3/c1-2 9-21-12-17-11-18(23(28)20 (17)13-22(21)30-2)14-24(2 6)7-9-27(10-8-24)15-16-3- 5-19(25)6-4-16/h3-6,12-13 ,18H,7-11,14-15H2,1-2H3/t 18-/m1/s1; AEHZLLUTPCJFHO-GOSISDBHSA-N |
COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3 )Cc4ccc(cc4)F)F; COc1cc2C[CH](CC3(F)CCN( CC3)Cc4ccc(F)cc4)C(=O)c2cc1OC; COc1cc2c( cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4ccc(cc4)F )F; COc1cc2C[C@H](CC3(F)CCN(CC3)Cc4ccc(F )cc4)C(=O)c2cc1OC |
(2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 22671 |  H0M |
1 | C13 H12 N2 O2 | InChI=1S/C13H12N2O2/c16-1 1-5-3-4-10(8-11)9-13(17)1 5-12-6-1-2-7-14-12/h1-8,1 6H,9H2,(H,14,15,17); XKXNXBRQAPWSNN-UHFFFAOYSA-N |
Oc1cccc(CC(=O)Nc2ccccn2)c1; N(C(Cc1cc(cc c1)O)=O)c2ccccn2; c1ccnc(c1)NC(=O)Cc2ccc c(c2)O |
2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide |
| 22672 |  H0N CHEMBL4452711 |
1 | C24 H22 Cl2 N6 O2 | InChI=1S/C24H22Cl2N6O2/c2 5-20-2-1-15(11-21(20)26)1 3-31-14-19(23(33)30-16-3- 7-27-8-4-16)22-18(24(31)3 4)12-29-32(22)17-5-9-28-1 0-6-17/h1-4,7-8,11-12,14, 17,28H,5-6,9-10,13H2,(H,2 7,30,33); BMOUOZDRMBLNSI-UHFFFAOYSA-N |
c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C (=O)Nc5ccncc5)Cl)Cl; Clc1ccc(CN2C=C(C(=O )Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl |
5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide |
| 22673 |  H0O |
2 | C22 H23 N5 O | InChI=1S/C22H23N5O/c1-5-2 0(28)24-16-7-9-17(10-8-16 )27-15(4)22(14(3)26-27)21 -13(2)6-11-19-18(21)12-23 -25-19/h6-12H,5H2,1-4H3,( H,23,25)(H,24,28); QQALNIZCKVOIBC-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc 4n[nH]cc34; CCC(=O)Nc1ccc(cc1)n2c(c(c(n2 )C)c3c(ccc4c3c[nH]n4)C)C |
~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide |
| 22674 |  H0P |
1 | C13 H12 N2 O2 | InChI=1S/C13H12N2O2/c16-1 2-5-1-3-10(7-12)8-13(17)1 5-11-4-2-6-14-9-11/h1-7,9 ,16H,8H2,(H,15,17); SVYJPXVRJILISE-UHFFFAOYSA-N |
Oc1cccc(CC(=O)Nc2cccnc2)c1; N(C(Cc1cc(cc c1)O)=O)c2cccnc2; c1cc(cc(c1)O)CC(=O)Nc2 cccnc2 |
2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide |
| 22675 |  H0Q CHEMBL4543704 |
1 | C21 H17 Cl N4 O2 | InChI=1S/C21H17ClN4O2/c1- 25-12-16(10-23-25)24-20(2 7)19-13-26(11-14-5-4-6-15 (22)9-14)21(28)18-8-3-2-7 -17(18)19/h2-10,12-13H,11 H2,1H3,(H,24,27); XBJCGFCUIMJMDK-UHFFFAOYSA-N |
Cn1cc(NC(=O)C2=CN(Cc3cccc(Cl)c3)C(=O)c4c cccc24)cn1; Cn1cc(cn1)NC(=O)C2=CN(C(=O)c 3c2cccc3)Cc4cccc(c4)Cl |
2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide |
| 22676 |  H0R |
2 | C24 H27 F2 N O3 | InChI=1S/C24H27F2NO3/c1-2 9-21-12-17-11-18(23(28)19 (17)13-22(21)30-2)14-24(2 6)7-9-27(10-8-24)15-16-5- 3-4-6-20(16)25/h3-6,12-13 ,18H,7-11,14-15H2,1-2H3/t 18-/m0/s1; DCZOKUPYRTZAFN-SFHVURJKSA-N |
COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccccc4F)C( =O)c2cc1OC; COc1cc2c(cc1OC)C(=O)C(C2)CC3 (CCN(CC3)Cc4ccccc4F)F; COc1cc2c(cc1OC)C( =O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F; C Oc1cc2C[C@@H](CC3(F)CCN(CC3)Cc4ccccc4F)C (=O)c2cc1OC |
(2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 22677 |  H0S ZINC000001248426 |
3 | C12 H11 N5 | InChI=1S/C12H11N5/c1-8-2- 4-9(5-3-8)16-11-10-6-15-1 7-12(10)14-7-13-11/h2-7H, 1H3,(H2,13,14,15,16,17); TZIUGCYEFCFJRQ-UHFFFAOYSA-N |
Cc1ccc(Nc2ncnc3[nH]ncc23)cc1; Cc1ccc(cc1 )Nc2c3cn[nH]c3ncn2; N(c1ncnc2nncc12)c3cc c(cc3)C |
N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 22678 |  H0T |
1 | C28 H28 N6 O3 S | InChI=1S/C28H28N6O3S/c1-3 2-12-14-34(15-13-32)38(36 ,37)25-9-5-4-8-22(25)19-1 0-11-24-23(16-19)26(31-28 (29)30-24)27(35)33-17-20- 6-2-3-7-21(20)18-33/h2-11 ,16H,12-15,17-18H2,1H3,(H 2,29,30,31); XSLSHMZZJCYUEM-UHFFFAOYSA-N |
CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c (nc(n4)N)C(=O)N5Cc6ccccc6C5; CN1CCN(CC1) [S](=O)(=O)c2ccccc2c3ccc4nc(N)nc(C(=O)N5 Cc6ccccc6C5)c4c3 |
[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone |
| 22679 |  H0U ZINC000068245020 |
3 | C19 H16 N2 O2 S2 | InChI=1S/C19H16N2O2S2/c1- 13-3-8-17(9-4-13)25(22,23 )21-18-11-15(6-5-14(18)2) 19-10-7-16(12-20)24-19/h3 -11,21H,1-2H3; GRYXROIHHXHFND-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3 )C#N; Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C) c3sc(cc3)C#N |
~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide |
| 22680 |  H0V CHEMBL3318804 ZINC000222800688 |
4 | C14 H15 N5 | InChI=1S/C14H15N5/c15-12- 11-10(7-6-9-4-2-1-3-5-9)8 -17-13(11)19-14(16)18-12/ h1-5,8H,6-7H2,(H5,15,16,1 7,18,19); MGQFVODICYACIT-UHFFFAOYSA-N |
Nc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1; n1c(c2 c(nc1N)ncc2CCc3ccccc3)N; c1ccc(cc1)CCc2c [nH]c3c2c(nc(n3)N)N |
5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| 22681 |  H0W |
1 | C40 H37 Cl2 N7 O3 | InChI=1S/C40H37Cl2N7O3/c1 -25(26-10-12-28(41)13-11- 26)49-24-44-35(27-7-3-2-4 -8-27)37(49)34-31-15-14-2 9(42)23-33(31)45-36(34)39 (50)46-32-9-5-18-43-38(32 )47-20-16-30(17-21-47)48- 19-6-22-52-40(48)51/h2-5, 7-15,18,23-25,30,45H,6,16 -17,19-22H2,1H3,(H,46,50) /t25-/m0/s1; PEGKHNWZGSKUJH-VWLOTQADSA-N |
CC(c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c 3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c 8ccccc8; C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3 c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N 7CCCOC7=O)Cl)c8ccccc8; C[CH](n1cnc(c2ccc cc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cccn c5N6CCC(CC6)N7CCCOC7=O)c8ccc(Cl)cc8; C[C @H](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc 34)C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)c8 ccc(Cl)cc8 |
6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide |
| 22682 |  H0X ZINC000005154858 |
1 | C12 H9 N3 O S | InChI=1S/C12H9N3OS/c13-6- 7-17-12-14-10(8-11(16)15- 12)9-4-2-1-3-5-9/h1-5,8H, 7H2,(H,14,15,16); LOXMFYYAURQRNF-UHFFFAOYSA-N |
O=C1NC(=NC(=C1)c2ccccc2)SCC#N; c1ccc(cc1 )C2=CC(=O)NC(=N2)SCC#N; C(C#N)SC=2NC(C=C (c1ccccc1)N=2)=O |
[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile |
| 22683 |  H0Y CHEMBL3287282 ZINC000095920917 |
1 | C23 H18 N4 O2 S | InChI=1S/C23H18N4O2S/c28- 22(29)20-9-4-7-17(24-20)1 5-12-11-14-5-3-8-18(16(14 )13-15)26-27-23-25-19-6-1 -2-10-21(19)30-23/h1-2,4, 6-7,9-13H,3,5,8H2,(H,25,2 7)(H,28,29)/b26-18+; ZGERKAMDOWOUTN-NLRVBDNBSA-N |
O=C(O)c1nc(ccc1)c2ccc5c(c2)/C(=N/Nc3nc4c cccc4s3)CCC5; c1ccc2c(c1)nc(s2)N/N=C/3\C CCc4c3cc(cc4)c5cccc(n5)C(=O)O; OC(=O)c1c ccc(n1)c2ccc3CCC\C(=N/Nc4sc5ccccc5n4)c3c 2; c1ccc2c(c1)nc(s2)NN=C3CCCc4c3cc(cc4)c 5cccc(n5)C(=O)O; OC(=O)c1cccc(n1)c2ccc3C CCC(=NNc4sc5ccccc5n4)c3c2 |
6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid |
| 22684 |  H0Z CHEMBL417990 DB11562 ZINC000019899011 |
4 | C20 H17 N O6 | InChI=1S/C20H17NO6/c1-21- 5-4-10-6-14-15(25-8-24-14 )7-12(10)17(21)18-11-2-3- 13-19(26-9-23-13)16(11)20 (22)27-18/h2-3,6-7,17-18H ,4-5,8-9H2,1H3/t17-,18+/m 0/s1; IYGYMKDQCDOMRE-ZWKOTPCHSA-N |
CN1CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OC Oc6ccc45; CN1CCc2cc3c(cc2C1C4c5ccc6c(c5C (=O)O4)OCO6)OCO3; CN1CCc2cc3OCOc3cc2[C@H ]1[C@@H]4OC(=O)c5c6OCOc6ccc45; CN1CCc2cc 3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6 )OCO3 |
bicuculline methochloride |
| 22685 |  H10 |
4 | C21 H26 N2 O3 | InChI=1S/C21H26N2O3/c1-14 (23(25)20(22)24)5-6-15-3- 2-4-19(10-15)26-21-11-16- 7-17(12-21)9-18(8-16)13-2 1/h2-4,10,14,16-18,25H,7- 9,11-13H2,1H3,(H2,22,24)/ t14-,16-,17+,18-,21-/m1/s 1; PFKKAYHOZBGYNL-YUZRNDJPSA-N |
C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C 3)N(C(=O)N)O; CC(C#Cc1cccc(c1)OC23CC4CC( C2)CC(C4)C3)N(C(=O)N)O; C[CH](C#Cc1cccc( OC23CC4CC(CC(C4)C2)C3)c1)N(O)C(N)=O; C[C @H](C#Cc1cccc(OC23CC4CC(CC(C4)C2)C3)c1)N (O)C(N)=O; O=C(N)N(O)C(C#Cc4cc(OC12CC3CC (C1)CC(C2)C3)ccc4)C |
1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea |
| 22686 |  H11 DB07866 ZINC000014978727 |
4 | C15 H26 N2 O S | InChI=1S/C15H26N2OS/c1-3- 11-15(2)13(18)17-14(19-15 )16-12-9-7-5-4-6-8-10-12/ h12H,3-11H2,1-2H3,(H,16,1 7,18)/t15-/m0/s1; SBTHYUAUBLEDJY-HNNXBMFYSA-N |
CCCC1(C(=O)N=C(S1)NC2CCCCCCC2)C; O=C1N=C (SC1(CCC)C)NC2CCCCCCC2; CCC[C@]1(C(=O)N= C(S1)NC2CCCCCCC2)C; CCC[C]1(C)SC(=NC1=O) NC2CCCCCCC2; CCC[C@]1(C)SC(=NC1=O)NC2CCC CCCC2 |
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one |
| 22687 |  H12 CHEMBL187718 DB07867 |
1 | C18 H22 Cl N O2 | InChI=1S/C18H22ClNO2/c1-2 -6-14-17(22-13-7-4-3-5-8- 13)15-11-12(19)9-10-16(15 )20-18(14)21/h9-11,13H,2- 8H2,1H3,(H,20,21); BNZHKKGOSYAQSW-UHFFFAOYSA-N |
CCCC1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O; Clc 3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)CCC)c3; CC CC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3 |
6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE |
| 22688 |  H13 CHEMBL124303 ZINC000043362167 |
2 | C23 H39 N O3 | InChI=1S/C23H39NO3/c1-2-3 -4-5-6-7-8-9-10-14-17-23( 27)24-21(19-25)18-22(26)2 0-15-12-11-13-16-20/h11-1 3,15-16,21-22,25-26H,2-10 ,14,17-19H2,1H3,(H,24,27) /t21-,22-/m1/s1; QFIYNRCZMOYKEJ-FGZHOGPDSA-N |
CCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1 ccccc1; CCCCCCCCCCCCC(=O)NC(CC(c1ccccc1) O)CO; CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1c cccc1)O)CO; O=C(NC(CC(O)c1ccccc1)CO)CCCC CCCCCCCC; CCCCCCCCCCCCC(=O)N[CH](CO)C[CH ](O)c1ccccc1 |
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide |
| 22689 |  H14 ZINC000000034162 |
0 | C9 H11 N O3 | InChI=1S/C9H11NO3/c10-7(9 (12)13)8(11)6-4-2-1-3-5-6 /h1-5,7-8,11H,10H2,(H,12, 13)/t7-,8+/m0/s1; VHVGNTVUSQUXPS-JGVFFNPUSA-N |
N[C@@H]([C@H](O)c1ccccc1)C(O)=O; c1ccc(c c1)[C@H]([C@@H](C(=O)O)N)O; O=C(O)C(N)C( O)c1ccccc1; N[CH]([CH](O)c1ccccc1)C(O)=O ; c1ccc(cc1)C(C(C(=O)O)N)O |
(2S,3R)-BETA-HYDROXY-PHENYLALANINE; BETA-HYDROXY-PHENYLALANINE; THREO-BETA-HYDROXY-L-PHENYLALANINE; (BETAS)-BETA-HYDROXY-L-PHENYLALANINE; L-THREO-3-PHENYLSERINE; L-THREO-BETA-PHENYLSERINE; 3-HYDROXY-L-PHENYLALANINE |
| 22690 |  H15 CHEMBL121013 ZINC000043361922 |
2 | C25 H43 N O3 | InChI=1S/C25H43NO3/c1-2-3 -4-5-6-7-8-9-10-11-12-16- 19-25(29)26-23(21-27)20-2 4(28)22-17-14-13-15-18-22 /h13-15,17-18,23-24,27-28 H,2-12,16,19-21H2,1H3,(H, 26,29)/t23-,24-/m1/s1; LFNPKXLKUQCCJV-DNQXCXABSA-N |
CCCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO; CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O) c1ccccc1; O=C(NC(CC(O)c1ccccc1)CO)CCCCCC CCCCCCCC; CCCCCCCCCCCCCCC(=O)N[CH](CO)C[ CH](O)c1ccccc1; CCCCCCCCCCCCCCC(=O)N[C@H ](CC(c1ccccc1)O)CO |
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide |
| 22691 |  H16 CHEMBL191146 DB07868 ZINC000003648747 |
1 | C18 H22 Cl N O S | InChI=1S/C18H22ClNOS/c1-2 -6-14-17(22-13-7-4-3-5-8- 13)15-11-12(19)9-10-16(15 )20-18(14)21/h9-11,13H,2- 8H2,1H3,(H,20,21); CLKFNGKDJYMUPK-UHFFFAOYSA-N |
CCCC1=C(SC2CCCCC2)c3cc(Cl)ccc3NC1=O; Clc 3ccc2c(C(SC1CCCCC1)=C(C(=O)N2)CCC)c3; CC CC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3 |
6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE |
| 22692 |  H17 |
1 | C21 H21 Cl N2 O2 | InChI=1S/C21H21ClN2O2/c1- 2-21(26)24-11-5-10-19(24) 16-7-3-6-15(12-16)13-20(2 5)23-18-9-4-8-17(22)14-18 /h2-4,6-9,12,14,19H,1,5,1 0-11,13H2,(H,23,25)/t19-/ m1/s1; HVSHMSOMUBRQOZ-LJQANCHMSA-N |
N(C(Cc2cccc(C1CCCN1C(=O)[C@H]=C)c2)=O)c3 cccc(c3)Cl; Clc1cccc(NC(=O)Cc2cccc(c2)[C @H]3CCCN3C(=O)C=C)c1; C=CC(=O)N1CCCC1c2c ccc(c2)CC(=O)Nc3cccc(c3)Cl; C=CC(=O)N1CC C[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl; C lc1cccc(NC(=O)Cc2cccc(c2)[CH]3CCCN3C(=O) C=C)c1 |
2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide |
| 22693 |  H18 DB07869 ZINC000013585216 |
1 | C18 H22 Cl N O2 S | InChI=1S/C18H22ClNO2S/c1- 2-6-14-17(23(22)13-7-4-3- 5-8-13)15-11-12(19)9-10-1 6(15)20-18(14)21/h9-11,13 H,2-8H2,1H3,(H,20,21)/t23 -/m1/s1; QRBUGQMJMFAHKS-HSZRJFAPSA-N |
CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCC C3; CCCC1=C(c2cc(Cl)ccc2NC1=O)[S@](=O)C3 CCCCC3; CCCC1=C(c2cc(ccc2NC1=O)Cl)S(=O)C 3CCCCC3; Clc3ccc1c(C(=C(C(=O)N1)CCC)S(=O )C2CCCCC2)c3; CCCC1=C(c2cc(Cl)ccc2NC1=O) [S](=O)C3CCCCC3 |
6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE |
| 22694 |  H19 |
1 | C18 H21 Cl N3 | InChI=1S/C18H20ClN3/c19-1 3-1-2-14-15(9-13)22-16-8- 11-5-10(3-4-20)6-12(7-11) 17(16)18(14)21/h1-2,6,9,1 1-12H,3-5,7-8,20H2,(H2,21 ,22)/p+1/t11-,12+/m1/s1; JBGUOIGXEREJEV-NEPJUHHUSA-O |
c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)CC(=C4)CC[ NH3+]; Nc1c2ccc(Cl)cc2nc3C[C@H]4C[C@H](C =C(CC[NH3+])C4)c13; Nc1c2ccc(Cl)cc2nc3C[ CH]4C[CH](C=C(CC[NH3+])C4)c13; c1cc2c(cc 1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[ NH3+] |
huprine 19 |
| 22695 |  H1A |
2 | C12 H17 N O2 | InChI=1S/C12H17NO2/c1-3-9 (4-2)12(15)13-10-7-5-6-8- 11(10)14/h5-9,14H,3-4H2,1 -2H3,(H,13,15); ZHIXKMXOQAKAKN-UHFFFAOYSA-N |
CCC(CC)C(=O)Nc1ccccc1O; N(C(C(CC)CC)=O)c 1c(cccc1)O |
2-ethyl-N-(2-hydroxyphenyl)butanamide |
| 22696 |  H1B CHEMBL3769507 ZINC000231374665 |
5 | C22 H22 F3 N3 O3 S2 | InChI=1S/C22H22F3N3O3S2/c 1-2-28-12-17(13-4-3-5-14( 10-13)22(23,24)25)19-16(2 1(28)29)11-18(32-19)20(26 )27-15-6-8-33(30,31)9-7-1 5/h3-5,10-12,15H,2,6-9H2, 1H3,(H2,26,27); WRUWGLUCNBMGPS-UHFFFAOYSA-N |
CCN1C=C(c2c(cc(s2)C(=NC3CCS(=O)(=O)CC3)N )C1=O)c4cccc(c4)C(F)(F)F; CCN1C=C(c2cccc (c2)C(F)(F)F)c3sc(cc3C1=O)C(N)=NC4CC[S]( =O)(=O)CC4; CCN1C=C(c2c(cc(s2)/C(=N/C3CC S(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F |
N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide |
| 22697 |  H1C CHEMBL528271 ZINC000005424253 |
1 | C13 H17 N3 O2 | InChI=1S/C13H17N3O2/c1-3- 4-5-9-6-7-10-11(8-9)15-12 (14-10)16-13(17)18-2/h6-8 H,3-5H2,1-2H3,(H2,14,15,1 6,17); YRWLZFXJFBZBEY-UHFFFAOYSA-N |
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1; CCCCc1cc c2c(c1)nc([nH]2)NC(=O)OC |
methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate |
| 22698 |  H1D CHEMBL207406 ZINC000013687227 |
1 | C8 H16 N2 O6 S | InChI=1S/C8H16N2O6S/c9-4( 8(14)15)1-2-17-3-5(11)6(1 2)7(13)10-16/h4-6,11-12,1 6H,1-3,9H2,(H,10,13)(H,14 ,15)/t4-,5+,6+/m0/s1; PWFBZASPUNGGAM-KVQBGUIXSA-N |
C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O )O)N; N[CH](CCSC[CH](O)[CH](O)C(=O)NO)C( O)=O; N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O )NO)C(O)=O; O=C(NO)C(O)C(O)CSCCC(N)C(=O) O; C(CSCC(C(C(=O)NO)O)O)C(C(=O)O)N |
(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID |
| 22699 |  H1F |
1 | C19 H21 N3 O3 S | InChI=1S/C19H21N3O3S/c1-2 3-16-9-13(10-17(24-2)18(1 6)25-3)15-11-14(21-22(15) 19(20)26)12-7-5-4-6-8-12/ h4-10,15H,11H2,1-3H3,(H2, 20,26); GONIBFCARADPAC-UHFFFAOYSA-N |
COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3cccc c3; COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S )c3ccccc3; COc1cc(cc(OC)c1OC)[C@@H]2CC(= NN2C(N)=S)c3ccccc3 |
5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide |
| 22700 |  H1G |
1 | C20 H22 N4 O5 | InChI=1S/C20H22N4O5/c1-28 -16-4-2-14(3-5-16)8-18(25 )23-15-9-17(11-21-10-15)2 9-13-20(27)24-7-6-22-19(2 6)12-24/h2-5,9-11H,6-8,12 -13H2,1H3,(H,22,26)(H,23, 25); HQORDXPKFUZBKB-UHFFFAOYSA-N |
COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CC NC(=O)C3; COc1ccc(CC(=O)Nc2cncc(OCC(=O)N 3CCNC(=O)C3)c2)cc1; n2cc(NC(Cc1ccc(cc1)O C)=O)cc(c2)OCC(=O)N3CC(NCC3)=O |
2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide |
| 22701 |  H1H |
1 | C24 H32 N2 O6 | InChI=1S/C24H32N2O6/c1-15 (2)9-8-12-32-22-14-19(18( 23(27)28)13-21(22)31-5)26 -24(29)25-16(3)17-10-6-7- 11-20(17)30-4/h6-7,10-11, 13-16H,8-9,12H2,1-5H3,(H, 27,28)(H2,25,26,29)/t16-/ m0/s1; UFAFCKVYKJIJTR-INIZCTEOSA-N |
CC(C)CCCOc1cc(c(cc1OC)C(=O)O)NC(=O)NC(C) c2ccccc2OC; C[C@@H](c1ccccc1OC)NC(=O)Nc2 cc(c(cc2C(=O)O)OC)OCCCC(C)C; COc1ccccc1[ C@H](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O )=O; COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC( C)C)c(OC)cc2C(O)=O |
5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid |
| 22702 |  H1I CHEMBL3400496 ZINC000098208978 |
4 | C31 H30 N4 O4 S2 | InChI=1S/C31H30N4O4S2/c1- 22(33-34-31-32-26-16-8-9- 17-29(26)40-31)27-19-20-2 8(39-27)24-14-10-15-25(21 -24)41(37,38)35-30(36)18- 7-3-6-13-23-11-4-2-5-12-2 3/h2,4-5,8-12,14-17,19-21 H,3,6-7,13,18H2,1H3,(H,32 ,34)(H,35,36)/b33-22+; ZGVBPNIFKPDHBC-STKMKYKTSA-N |
CC(=NNc1nc2ccccc2s1)c3ccc(o3)c4cccc(c4)S (=O)(=O)NC(=O)CCCCCc5ccccc5; C/C(=N\Nc1n c2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O) NC(=O)CCCCCc5ccccc5; CC(=NNc1sc2ccccc2n1 )c3oc(cc3)c4cccc(c4)[S](=O)(=O)NC(=O)CCC CCc5ccccc5; C\C(=N/Nc1sc2ccccc2n1)c3oc(c c3)c4cccc(c4)[S](=O)(=O)NC(=O)CCCCCc5ccc cc5; O=C(NS(=O)(=O)c1cccc(c1)c2oc(cc2)/C (=N/Nc3nc4ccccc4s3)C)CCCCCc5ccccc5 |
N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide |
| 22703 |  H1J ZINC000005560110 |
1 | C14 H11 Cl F N O | InChI=1S/C14H11ClFNO/c15- 11-2-1-3-13(9-11)17-14(18 )8-10-4-6-12(16)7-5-10/h1 -7,9H,8H2,(H,17,18); BNRVDRRNZNBFGG-UHFFFAOYSA-N |
N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl; Fc1ccc (CC(=O)Nc2cccc(Cl)c2)cc1; c1cc(cc(c1)Cl) NC(=O)Cc2ccc(cc2)F |
N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide |
| 22704 |  H1K CHEMBL549867 |
1 | C13 H13 Cl N4 O3 | InChI=1S/C13H13ClN4O3/c1- 20-10-6-11(21-2)9(5-8(10) 14)17-13(19)18-12-7-15-3- 4-16-12/h3-7H,1-2H3,(H2,1 6,17,18,19); YHZULYLGPVGRKP-UHFFFAOYSA-N |
COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl; O=C(N c1nccnc1)Nc2cc(Cl)c(OC)cc2OC; COc1cc(c(c c1NC(=O)Nc2cnccn2)Cl)OC |
1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea |
| 22705 |  H1L CHEMBL1233202 DB07870 ZINC000000902175 |
13 | C15 H11 Cl F3 N O4 | InChI=1S/C15H11ClF3NO4/c1 -8(14(21)22)23-10-2-4-11( 5-3-10)24-13-12(16)6-9(7- 20-13)15(17,18)19/h2-8H,1 H3,(H,21,22)/t8-/m1/s1; GOCUAJYOYBLQRH-MRVPVSSYSA-N |
O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2 )C; C[C@@H](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F )cc1)C(O)=O; CC(C(=O)O)Oc1ccc(cc1)Oc2c(c c(cn2)C(F)(F)F)Cl; C[C@H](C(=O)O)Oc1ccc( cc1)Oc2c(cc(cn2)C(F)(F)F)Cl; C[CH](Oc1cc c(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O |
(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid; HALOXYFOP INHIBITOR, R enantiomer |
| 22706 |  H1M ZINC000058631821 |
4 | C9 H18 O6 | InChI=1S/C9H18O6/c1-14-9- 5(2-3-10)7(12)8(13)6(4-11 )15-9/h5-13H,2-4H2,1H3/t5 -,6+,7+,8+,9-/m0/s1; FAFNJLOZTBABPO-CBHQDSPSSA-N |
O(C)C1OC(C(O)C(O)C1CCO)CO; CO[C@H]1O[C@H ](CO)[C@@H](O)[C@H](O)[C@@H]1CCO; CO[C@@ H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CC O; COC1C(C(C(C(O1)CO)O)O)CCO; CO[CH]1O[C H](CO)[CH](O)[CH](O)[CH]1CCO |
methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannopyranoside; methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannoside; methyl 2-deoxy-2-(2-hydroxyethyl)-D-mannoside; methyl 2-deoxy-2-(2-hydroxyethyl)-mannoside |
| 22707 |  H1N ZINC000103544151 |
5 | C29 H32 N4 O3 S | InChI=1S/C29H32N4O3S/c1-2 -37(35,36)32-24-15-16-26- 25(19-24)27(29(34)31-26)2 8(22-9-5-3-6-10-22)30-23- 13-11-21(12-14-23)20-33-1 7-7-4-8-18-33/h3,5-6,9-16 ,19,27,32H,2,4,7-8,17-18, 20H2,1H3,(H,31,34)/b30-28 +/t27-/m0/s1; SGZZQKMOFHIDKW-MCKMWFOCSA-N |
CC[S](=O)(=O)Nc1ccc2NC(=O)[CH](c2c1)C(=N c3ccc(CN4CCCCC4)cc3)c5ccccc5; CCS(=O)(=O )Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)C N4CCCCC4)/c5ccccc5; CCS(=O)(=O)Nc1ccc2c( c1)C(C(=O)N2)C(=Nc3ccc(cc3)CN4CCCCC4)c5c cccc5; CC[S](=O)(=O)Nc1ccc2NC(=O)[C@@H]( c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5; O =S(=O)(Nc1ccc2c(c1)C(C(=O)N2)C(=N/c3ccc( cc3)CN4CCCCC4)/c5ccccc5)CC |
N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE; HESPERADIN |
| 22708 |  H1O CHEMBL4852240 |
2 | C25 H23 N3 O3 | InChI=1S/C25H23N3O3/c1-28 -12-11-17-18(8-6-10-20(17 )28)25-26-19-9-5-7-16(23( 19)27-25)15-13-21(29-2)24 (31-4)22(14-15)30-3/h5-14 H,1-4H3,(H,26,27); YVHIIGJCOXHSPF-UHFFFAOYSA-N |
COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cc cc5n(C)ccc45; Cn1ccc2c1cccc2c3[nH]c4c(cc cc4n3)c5cc(c(c(c5)OC)OC)OC |
2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole |
| 22709 |  H1P |
1 | C16 H12 F N O | InChI=1S/C16H12FNO/c17-13 -9-7-12(8-10-13)14-4-1-2- 5-15(14)18-11-3-6-16(18)1 9/h1-5,7-11H,6H2; XQHVGZKJQZFCRP-UHFFFAOYSA-N |
c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O; c1c cc(c(c1)c2ccc(cc2)F)N3C=CCC3=O; Fc1ccc(c c1)c2ccccc2N3C=CCC3=O |
1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one |
| 22710 |  H1Q |
1 | C10 H13 N5 O11 V2 | InChI=1S/C10H12N5O4.H2O.6 O.2V/c11-8-5-9(13-2-12-8) 15(3-14-5)10-7(18)6(17)4( 1-16)19-10;;;;;;;;;/h2-4, 6-7,10,17-18H,1H2,(H2,11, 12,13);1H2;;;;;;;;/q-1;;; 5*-1;2*+1/p-1/t4-,6-,7-,1 0?;;;;;;;;;/m1........./s 1; SCTBHSLYHREHHB-OUJHSJFHSA-M |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[V]([O-]) ([O-])O[V](O)([O-])([O-])[O-])O)O)N; Nc1 ncnc2n(cnc12)[CH]3O[CH](CO[V]([O-])([O-] )O[V](O)([O-])([O-])[O-])[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@H]3O[C@H](CO[V]([O-]) ([O-])O[V](O)([O-])([O-])[O-])[C@@H](O)[ C@H]3O; c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]( [C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O) ([O-])([O-])[O-])O)O)N |
adenosine divanadate |
| 22711 |  H1R |
2 | C24 H27 F2 N O3 | InChI=1S/C24H27F2NO3/c1-2 9-21-12-17-11-18(23(28)20 (17)13-22(21)30-2)14-24(2 6)6-8-27(9-7-24)15-16-4-3 -5-19(25)10-16/h3-5,10,12 -13,18H,6-9,11,14-15H2,1- 2H3/t18-/m0/s1; BVXQHSRGCUOBMQ-SFHVURJKSA-N |
COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4 cccc(c4)F)F; COc1cc2C[C@@H](CC3(F)CCN(CC 3)Cc4cccc(F)c4)C(=O)c2cc1OC; COc1cc2c(cc 1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c 4)F)F; COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccc c(F)c4)C(=O)c2cc1OC |
(2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 22712 |  H1S |
0 | C12 H15 N O19 S3 | InChI=1S/C12H19NO19S3/c14 -3-1-4(10(16)17)30-12(8(3 )32-35(25,26)27)31-9-5(2- 28-34(22,23)24)29-11(18)6 (7(9)15)13-33(19,20)21/h1 ,3,5-9,11-15,18H,2H2,(H,1 6,17)(H,19,20,21)(H,22,23 ,24)(H,25,26,27)/p-4/t3-, 5+,6+,7+,8+,9+,11-,12-/m0 /s1; LRPGJWKAYQRIAQ-GYBHJADLSA-J |
C1=C(OC(C(C1O)OS(=O)(=O)[O-])OC2C(OC(C(C 2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O )[O-]; [O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(O C(O)C(NS([O-])(=O)=O)C1O)COS([O-])(=O)=O )C([O-])=O; O[C@H]1O[C@H](CO[S]([O-])(=O )=O)[C@@H](O[C@@H]2OC(=C[C@H](O)[C@H]2O[ S]([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1N [S]([O-])(=O)=O; O[CH]1O[CH](CO[S]([O-]) (=O)=O)[CH](O[CH]2OC(=C[CH](O)[CH]2O[S]( [O-])(=O)=O)C([O-])=O)[CH](O)[CH]1N[S]([ O-])(=O)=O; C1=C(O[C@H]([C@@H]([C@H]1O)O S(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@ H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[ O-])C(=O)[O-] |
HEPARIN DISACCHARIDE I-S |
| 22713 |  H1T |
1 | O20 V7 | InChI=1S/14H2O.6O.7V/h14* 1H2;;;;;;;;;;;;;/q;;;;;;; ;;;;;;;;;;;;;;+1;3*+2;+3; +4/p-14; MFPKOXVPJRIEPC-UHFFFAOYSA-A |
O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([ O])O[V]([O])([O])[O])O([V]([O])[O])[V]([ O])([O])([O])[O]; O.O.O.O.O.O.O.O.O.O.O. O.O.O.[V]O[V].[V]O[V]O[V]O[V]O[V]=O |
[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium |
| 22714 |  H1U |
4 | C25 H33 N3 | InChI=1S/C25H33N3/c1-2-7- 13-21(12-6-1)27-19-25-23( 22-14-8-9-15-24(22)28-25) 16-17-26-18-20-10-4-3-5-1 1-20/h3-5,8-11,14-15,21,2 6-28H,1-2,6-7,12-13,16-19 H2; VJTXDVYRAXQJAK-UHFFFAOYSA-N |
C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc 4; c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCC CCC4 |
N-[[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]methyl]cycloheptanamine |
| 22715 |  H1V |
1 | C44 H46 Cl2 N10 O4 S2 | InChI=1S/C44H46Cl2N10O4S2 /c1-23-25(3)61-43-37(23)3 9(29-7-11-31(45)12-8-29)4 9-33(41-53-51-27(5)55(41) 43)21-35(57)47-15-17-59-1 9-20-60-18-16-48-36(58)22 -34-42-54-52-28(6)56(42)4 4-38(24(2)26(4)62-44)40(5 0-34)30-9-13-32(46)14-10- 30/h7-14,33-34H,15-22H2,1 -6H3,(H,47,57)(H,48,58)/t 33-,34-/m0/s1; ZKJQKCFLIQBELE-HEVIKAOCSA-N |
Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N CCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6 )C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C ; c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCC OCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)C l)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C; Cc 1sc2n3c(C)nnc3[C@H](CC(=O)NCCOCCOCCNC(=O )C[C@@H]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n 7c(C)nnc47)N=C(c8ccc(Cl)cc8)c2c1C; Cc1c( sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCN C(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7 ccc(cc7)Cl)C)c8ccc(cc8)Cl)C; Cc1sc2n3c(C )nnc3[CH](CC(=O)NCCOCCOCCNC(=O)C[CH]4N=C (c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)N =C(c8ccc(Cl)cc8)c2c1C |
N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} |
| 22716 |  H1W |
3 | H5 O5 V | InChI=1S/5H2O.V/h5*1H2;/q ;;;;;+5/p-5; QKDGGEBMABOMMW-UHFFFAOYSA-I |
O[V](O)(O)(O)O | pentakis(oxidanyl)vanadium |
| 22717 |  H1X ZINC000003243185 |
8 | C18 H21 N O4 S | InChI=1S/C18H21NO4S/c1-12 -9-10-13(18(2,3)4)11-16(1 2)24(22,23)19-15-8-6-5-7- 14(15)17(20)21/h5-11,19H, 1-4H3,(H,20,21); FUWMRGQUYIVRDW-UHFFFAOYSA-N |
Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)( C)C; Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)= O)C(C)(C)C |
2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid |
| 22718 |  H1Y ZINC000000240506 |
1 | C14 H12 Cl N O | InChI=1S/C14H12ClNO/c15-1 2-7-4-8-13(10-12)16-14(17 )9-11-5-2-1-3-6-11/h1-8,1 0H,9H2,(H,16,17); GAWITMMQHFGOMV-UHFFFAOYSA-N |
c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl; N(C(Cc1cc ccc1)=O)c2cccc(c2)Cl; Clc1cccc(NC(=O)Cc2 ccccc2)c1 |
N-(3-chlorophenyl)-2-phenylacetamide |
| 22719 |  H1Z CHEMBL1338403 ZINC000002454746 |
2 | C10 H15 N O3 S | InChI=1S/C10H15NO3S/c1-2- 3-8-14-9-4-6-10(7-5-9)15( 11,12)13/h4-7H,2-3,8H2,1H 3,(H2,11,12,13); GJCVWKPGGOMFQR-UHFFFAOYSA-N |
CCCCOc1ccc(cc1)[S](N)(=O)=O; CCCCOc1ccc( cc1)S(=O)(=O)N |
4-butoxybenzenesulfonamide |
| 22720 |  H20 CHEMBL190170 DB07871 ZINC000018518455 |
1 | C18 H22 Cl N O2 | InChI=1S/C18H22ClNO2/c1-1 1(2)16-17(22-13-6-4-3-5-7 -13)14-10-12(19)8-9-15(14 )20-18(16)21/h8-11,13H,3- 7H2,1-2H3,(H,20,21); OQCFORGSZJSAEL-UHFFFAOYSA-N |
CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3; C lc3ccc2c(C(OC1CCCCC1)=C(C(=O)N2)C(C)C)c3 ; CC(C)C1=C(OC2CCCCC2)c3cc(Cl)ccc3NC1=O |
6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE |
| 22721 |  H21 CHEMBL564248 ZINC000035821322 |
1 | C20 H14 Cl F N6 O3 S | InChI=1S/C20H14ClFN6O3S/c 21-16-7-6-15(32-16)19(31) 25-20-23-11-27(26-20)10-1 7(29)24-14-5-4-12(9-13(14 )22)28-8-2-1-3-18(28)30/h 1-9,11H,10H2,(H,24,29)(H, 25,26,31); KAUVVMPQUJSRIS-UHFFFAOYSA-N |
c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3 )NC(=O)c4ccc(s4)Cl; O=C(Nc1ncn(n1)CC(=O) Nc3ccc(N2C=CC=CC2=O)cc3F)c4sc(Cl)cc4; Fc 1cc(ccc1NC(=O)Cn2cnc(NC(=O)c3sc(Cl)cc3)n 2)N4C=CC=CC4=O |
5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide |
| 22722 |  H22 CHEMBL557915 DB07872 ZINC000043019461 |
1 | C22 H20 Cl F N4 O3 S | InChI=1S/C22H20ClFN4O3S/c 23-19-7-6-18(32-19)22(31) 25-14-8-10-27(12-14)13-20 (29)26-17-5-4-15(11-16(17 )24)28-9-2-1-3-21(28)30/h 1-7,9,11,14H,8,10,12-13H2 ,(H,25,31)(H,26,29)/t14-/ m1/s1; IYGIXVNAMZPBDK-CQSZACIVSA-N |
Fc1cc(ccc1NC(=O)CN2CC[C@H](C2)NC(=O)c3sc (Cl)cc3)N4C=CC=CC4=O; Fc1cc(ccc1NC(=O)CN 2CC[CH](C2)NC(=O)c3sc(Cl)cc3)N4C=CC=CC4= O; O=C(NC3CCN(CC(=O)Nc2ccc(N1C=CC=CC1=O) cc2F)C3)c4sc(Cl)cc4; c1cc(c(cc1N2C=CC=CC 2=O)F)NC(=O)CN3CCC(C3)NC(=O)c4ccc(s4)Cl; c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3C C[C@H](C3)NC(=O)c4ccc(s4)Cl |
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide |
| 22723 |  H23 CHEMBL416301 DB07873 |
2 | C12 H28 O7 P2 | InChI=1S/C12H28O7P2/c1-2- 3-4-5-6-7-8-9-10-11-12(13 ,20(14,15)16)21(17,18)19/ h13H,2-11H2,1H3,(H2,14,15 ,16)(H2,17,18,19); KKVZONPEMODBBG-UHFFFAOYSA-N |
CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O; O=P (O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O; CCCCCC CCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID) |
| 22724 |  H24 CHEMBL1233206 DB07874 ZINC000011536246 |
3 | C19 H21 N3 O2 | InChI=1S/C19H21N3O2/c1-19 (12-17(23)22(2)18(20)21-1 9)15-8-4-6-13(10-15)14-7- 5-9-16(11-14)24-3/h4-11H, 12H2,1-3H3,(H2,20,21)/t19 -/m0/s1; LQOCXPOKEPYGTJ-IBGZPJMESA-N |
CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c 3)OC; C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2 )c3cccc(c3)OC; O=C3N(C(=NC(c2cc(c1cccc(O C)c1)ccc2)(C)C3)N)C; COc1cccc(c1)c2cccc( c2)[C]3(C)CC(=O)N(C)C(=N3)N; COc1cccc(c1 )c2cccc(c2)[C@]3(C)CC(=O)N(C)C(=N3)N |
(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one |
| 22725 |  H25 CHEMBL561318 DB07875 ZINC000038995983 |
2 | C22 H20 Cl F N4 O4 S | InChI=1S/C22H20ClFN4O4S/c 23-19-7-6-18(33-19)22(32) 26-16-10-27(11-17(16)29)1 2-20(30)25-15-5-4-13(9-14 (15)24)28-8-2-1-3-21(28)3 1/h1-9,16-17,29H,10-12H2, (H,25,30)(H,26,32)/t16-,1 7-/m0/s1; ARAVOODWJJJNBY-IRXDYDNUSA-N |
c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(C(C 3)O)NC(=O)c4ccc(s4)Cl; O[CH]1CN(C[CH]1NC (=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC =CC4=O; c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C [N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)C l; O[C@H]1CN(C[C@@H]1NC(=O)c2sc(Cl)cc2)C C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O; O=C(NC3C( O)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c 4sc(Cl)cc4 |
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide |
| 22726 |  H26 CHEMBL1233207 ZINC000003626645 |
2 | C9 H13 N4 O5 P | InChI=1S/C9H13N4O5P/c14-9 -7-8(10-5-11-9)13(6-12-7) 1-2-18-3-4-19(15,16)17/h5 -6H,1-4H2,(H,10,11,14)(H2 ,15,16,17); ARUATFPHVPUVFJ-UHFFFAOYSA-N |
O=P(O)(O)CCOCCn1c2N=CNC(=O)c2nc1; c1nc2c (n1CCOCCP(=O)(O)O)N=CNC2=O; O[P](O)(=O)C COCCn1cnc2C(=O)NC=Nc12 |
{2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid; 9-(2-phosphonoethoxyethyl)hypoxanthine |
| 22727 |  H27 ZINC000584905608 |
4 | C34 H42 N4 O12 S2 | InChI=1S/C34H42N4O12S2/c1 -19(2)29(33(43)44)38(52(4 5,46)26-14-12-25(13-15-26 )24-10-8-7-9-11-24)17-16- 35-34(51)37-32-28(36-20(3 )39)31(49-23(6)42)30(48-2 2(5)41)27(50-32)18-47-21( 4)40/h7-17,19,27-32H,18H2 ,1-6H3,(H,36,39)(H,43,44) (H2,35,37,51)/b17-16+/t27 -,28-,29-,30-,31-,32-/m1/ s1; NIEQAOCPXJWQAU-NPCCVVQBSA-N |
CC(C)[CH](N(C=CNC(=S)N[CH]1O[CH](COC(C)= O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1NC(C)=O )[S](=O)(=O)c2ccc(cc2)c3ccccc3)C(O)=O; c 2c(S(N(/C=C/NC(NC1C(C(OC(=O)C)C(OC(=O)C) C(COC(=O)C)O1)NC(=O)C)=S)C(C(O)=O)C(C)C) (=O)=O)ccc(c2)c3ccccc3; CC(C)[C@@H](N(/C =C/NC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@@H]( OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)[S]( =O)(=O)c2ccc(cc2)c3ccccc3)C(O)=O; CC(C)C (C(=O)O)N(C=CNC(=S)NC1C(C(C(C(O1)COC(=O) C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc (cc2)c3ccccc3; CC(C)[C@H](C(=O)O)N(/C=C/ NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O 1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O) (=O)c2ccc(cc2)c3ccccc3 |
(2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid |
| 22728 |  H28 |
1 | C23 H18 Cl2 F N3 O2 | InChI=1S/C23H18Cl2FN3O2/c 24-12-6-7-14-16(8-12)28-2 2(31)23(14)19(13-2-1-3-15 (25)20(13)26)18-17(9-27-2 1(18)30)29(23)10-11-4-5-1 1/h1-3,6-9,11,17-19H,4-5, 10H2,(H,28,31)/t17-,18+,1 9-,23+/m0/s1; ZWMAKFAKGSTVDL-QPXQOZNCSA-N |
Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC 4CC4)[C]25C(=O)Nc6cc(Cl)ccc56; Fc1c(Cl)c ccc1[C@H]2[C@H]3[C@H](C=NC3=O)N(CC4CC4)[ C@@]25C(=O)Nc6cc(Cl)ccc56; c1cc(c(c(c1)C l)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5 ccc(cc5NC4=O)Cl)CC6CC6; c1cc(c(c(c1)Cl)F )C2C3C(C=NC3=O)N(C24c5ccc(cc5NC4=O)Cl)CC 6CC6 |
(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione |
| 22729 |  H29 ZINC000012778440 |
4 | C12 H13 N3 S | InChI=1S/C12H13N3S/c13-10 -1-2-12(14-7-10)15-5-3-11 -9(8-15)4-6-16-11/h1-2,4, 6-7H,3,5,8,13H2; VEJCYGREDNZFMG-UHFFFAOYSA-N |
Nc1ccc(nc1)N2CCc3sccc3C2; c1cc(ncc1N)N2C Cc3c(ccs3)C2 |
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine |
| 22730 |  H2A DB04488 |
1 | C19 H27 N4 O9 S | InChI=1S/C19H28N4O9S/c1-9 (24)32-7-10-8-33-17-14(16 (27)23(17)15(10)19(30)31) 22-12(25)5-3-2-4-11(18(28 )29)21-13(26)6-20/h10-11, 14-15,17H,2-8,20H2,1H3,(H ,21,26)(H,22,25)(H,28,29) (H,30,31)/p-1/t10-,11+,14 -,15+,17-/m1/s1; JDAREAJBQYNCGO-UPMYTKPLSA-M |
CC(=O)OCC1CSC2C(C(=O)N2C1C(=O)[O-])NC(=O )CCCCC(C(=O)[O-])NC(=O)C[NH3+]; CC(=O)OC [CH]1CS[CH]2[CH](NC(=O)CCCC[CH](NC(=O)C[ NH3+])C([O-])=O)C(=O)N2[CH]1C([O-])=O; [ O-]C(=O)C(NC(=O)C[NH3+])CCCCC(=O)NC2C(=O )N1C2SCC(COC(=O)C)C1C([O-])=O; CC(=O)OCC 1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(= O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]; CC (=O)OC[C@@H]1CS[C@@H]2[C@H](NC(=O)CCCC[C @H](NC(=O)C[NH3+])C([O-])=O)C(=O)N2[C@@H ]1C([O-])=O |
(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE |
| 22731 |  H2B DB02562 |
16 | C9 H13 N5 O3 | InChI=1S/C9H13N5O3/c1-3(1 5)6(16)4-2-11-7-5(12-4)8( 17)14-9(10)13-7/h3-4,6,15 -16H,2H2,1H3,(H3,10,11,13 ,14,17)/t3-,4+,6-/m0/s1; ZHQJVZLJDXWFFX-RPDRRWSUSA-N |
C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N 1)N)O)O; CC(C(C1CNC2=NC(=NC(=O)C2=N1)N)O )O; C[CH](O)[CH](O)[CH]1CNC2=NC(=NC(=O)C 2=N1)N; C[C@H](O)[C@H](O)[C@H]1CNC2=NC(= NC(=O)C2=N1)N; O=C1N=C(N=C2NCC(N=C12)C(O )C(O)C)N |
2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE; QUINONOID 7,8-TETRAHYDROBIOPTERIN |
| 22732 |  H2C ZINC000021365332 |
2 | C13 H10 F N O3 S2 | InChI=1S/C13H10FNO3S2/c14 -10-3-1-9(2-4-10)7-15-11- 5-6-19-13(11)12(16)8-20(1 5,17)18/h1-6H,7-8H2; CZWDYEYEBHIIQS-UHFFFAOYSA-N |
Fc1ccc(CN2c3ccsc3C(=O)C[S]2(=O)=O)cc1; c 1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F |
1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one |
| 22733 |  H2D ZINC000001055646 |
1 | C13 H14 N2 O2 | InChI=1S/C13H14N2O2/c1-2- 11(10-6-4-3-5-7-10)13(16) 14-12-8-9-17-15-12/h3-9,1 1H,2H2,1H3,(H,14,15,16)/t 11-/m1/s1; SZRQFFYFLMVKTJ-LLVKDONJSA-N |
CC[C@@H](C(=O)Nc1ccon1)c2ccccc2; CC[CH]( C(=O)Nc1ccon1)c2ccccc2; n1occc1NC(C(c2cc ccc2)CC)=O; CCC(c1ccccc1)C(=O)Nc2ccon2; CC[C@H](c1ccccc1)C(=O)Nc2ccon2 |
(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide |
| 22734 |  H2E CHEMBL4745255 |
1 | C29 H32 N2 O5 S | InChI=1S/C29H32N2O5S/c1-2 0(19-30-7-11-33-12-8-30)3 5-24-5-6-27-22(16-24)15-2 1-3-2-4-25(29(21)37-27)26 -17-23(32)18-28(36-26)31- 9-13-34-14-10-31/h2-6,16- 18,20H,7-15,19H2,1H3/t20- /m1/s1; HRZBUHAVTBTHTM-HXUWFJFHSA-N |
CC(CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5 =CC(=O)C=C(O5)N6CCOCC6; C[CH](CN1CCOCC1) Oc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N 6CCOCC6; C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc 4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6; C[C @H](CN1CCOCC1)Oc2ccc3Sc4c(Cc3c2)cccc4C5= CC(=O)C=C(O5)N6CCOCC6 |
2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one |
| 22735 |  H2G ZINC000000360079 |
1 | C9 H15 N O S | InChI=1S/C9H15NOS/c1-7(11 )5-10-6-9-4-3-8(2)12-9/h3 -4,7,10-11H,5-6H2,1-2H3/t 7-/m0/s1; JLVFMHMDKADIAM-ZETCQYMHSA-N |
N(CC(C)O)Cc1ccc(s1)C; C[CH](O)CNCc1sc(C) cc1; C[C@H](O)CNCc1sc(C)cc1; Cc1ccc(s1)C NCC(C)O; Cc1ccc(s1)CNC[C@H](C)O |
(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
| 22736 |  H2H CHEMBL3752631 ZINC000653779447 |
1 | C19 H22 F N3 O6 S | InChI=1S/C19H22FN3O6S/c1- 19(17(24)21-26,30(3,27)28 )6-7-22-11-13-8-12(10-23( 13)18(22)25)15-5-4-14(29- 2)9-16(15)20/h4-5,8-10,26 H,6-7,11H2,1-3H3,(H,21,24 )/t19-/m1/s1; ICRQKLIZNPTHKX-LJQANCHMSA-N |
CC(CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O )NO)S(=O)(=O)C; COc1ccc(c(F)c1)c2cn3C(=O )N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2; COc1ccc(c(F)c1)c2cn3C(=O)N(CC[C@](C)(C(= O)NO)[S](C)(=O)=O)Cc3c2; C[C@@](CCN1Cc2c c(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(= O)C |
(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| 22737 |  H2I |
1 | C19 H15 N O6 | InChI=1S/C19H15NO6/c21-13 -4-1-10(2-5-13)9-20-19(26 )12-7-11-3-6-14(22)17(24) 16(11)18(25)15(23)8-12/h1 -8,21-22,24H,9H2,(H,20,26 )(H,23,25); ZCYBYTMZRFUUSR-UHFFFAOYSA-N |
c1cc(ccc1CNC(=O)C2=Cc3ccc(c(c3C(=O)C(=C2 )O)O)O)O; Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O) c3C(=O)C(=C2)O)cc1 |
~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide |
| 22738 |  H2J CHEMBL5202864 ZINC000000101388 |
1 | C15 H14 Cl N O2 | InChI=1S/C15H14ClNO2/c1-1 9-14-7-5-11(6-8-14)9-15(1 8)17-13-4-2-3-12(16)10-13 /h2-8,10H,9H2,1H3,(H,17,1 8); YWOVILWNVBQOEA-UHFFFAOYSA-N |
COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1; N(C(Cc1 ccc(cc1)OC)=O)c2cccc(c2)Cl; COc1ccc(cc1) CC(=O)Nc2cccc(c2)Cl |
N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide |
| 22739 |  H2K ZINC000043059096 |
1 | C16 H15 Cl N6 O2 | InChI=1S/C16H15ClN6O2/c17 -10-1-2-14(25-12-3-4-19-8 -12)13(5-10)22-16(24)23-1 5-9-20-11(6-18)7-21-15/h1 -2,5,7,9,12,19H,3-4,8H2,( H2,21,22,23,24)/t12-/m1/s 1; XWBVWQBBHHJLKT-GFCCVEGCSA-N |
c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H ]3CCNC3; Clc1ccc(O[CH]2CCNC2)c(NC(=O)Nc3 cnc(cn3)C#N)c1; Clc1ccc(O[C@@H]2CCNC2)c( NC(=O)Nc3cnc(cn3)C#N)c1; c1cc(c(cc1Cl)NC (=O)Nc2cnc(cn2)C#N)OC3CCNC3; N#Cc1ncc(nc 1)NC(=O)Nc3cc(Cl)ccc3OC2CCNC2 |
1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea |
| 22740 |  H2L ZINC000003989251 |
1 | C20 H19 N5 O3 S2 | InChI=1S/C20H19N5O3S2/c26 -19(25-20-21-10-11-29-20) 24-15-4-3-5-16(12-15)30(2 7,28)23-9-8-14-13-22-18-7 -2-1-6-17(14)18/h1-7,10-1 3,22-23H,8-9H2,(H2,21,24, 25,26); NYYVMDXWTXBRNW-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c 3)NC(=O)Nc4nccs4; O=C(Nc1sccn1)Nc2cccc(c 2)[S](=O)(=O)NCCc3c[nH]c4ccccc34 |
1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea |
| 22741 |  H2M |
1 | C17 H12 F3 N O | InChI=1S/C17H12F3NO/c18-1 7(19,20)13-6-3-5-12(11-13 )14-7-1-2-8-15(14)21-10-4 -9-16(21)22/h1-8,10-11H,9 H2; AIIYIYPODZMVSU-UHFFFAOYSA-N |
c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O ; FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O; c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F |
1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one |
| 22742 |  H2N CHEMBL4519798 |
1 | C16 H19 F N2 O7 S | InChI=1S/C16H19FN2O7S/c1- 16(14(20)18-22,27(3,23)24 )6-7-19-9-13(26-15(19)21) 11-5-4-10(25-2)8-12(11)17 /h4-5,8-9,22H,6-7H2,1-3H3 ,(H,18,20)/t16-/m1/s1; ARJXRYFNKZIMJA-MRXNPFEDSA-N |
C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O )NO)S(=O)(=O)C; COc1ccc(c(F)c1)C2=CN(CC[ C@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2; CC( CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(= O)(=O)C; COc1ccc(c(F)c1)C2=CN(CC[C](C)(C (=O)NO)[S](C)(=O)=O)C(=O)O2 |
(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| 22743 |  H2P DB04195 |
1 | C7 H15 O9 P | InChI=1S/C7H15O9P/c1-7(16 -17(12,13)14)6(11)5(10)4( 9)3(2-8)15-7/h3-6,8-11H,2 H2,1H3,(H2,12,13,14)/t3-, 4-,5+,6-,7-/m1/s1; QZBAZODTRUGOQS-XUUWZHRGSA-N |
C[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H] 1O)O[P](O)(O)=O; C[C]1(O[CH](CO)[CH](O)[ CH](O)[CH]1O)O[P](O)(O)=O; CC1(C(C(C(C(O 1)CO)O)O)O)OP(=O)(O)O; O=P(OC1(OC(C(O)C( O)C1O)CO)C)(O)O; C[C@]1([C@@H]([C@H]([C@ @H]([C@H](O1)CO)O)O)O)OP(=O)(O)O |
1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose; HEPTULOSE-2-PHOSPHATE; 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-gluco-hept-2-ulose |
| 22744 |  H2Q CHEMBL4448404 |
1 | C20 H23 N3 O6 S | InChI=1S/C20H23N3O6S/c1-1 9(17(25)21-27,30(2,28)29) 9-10-22-13-16-11-15(12-23 (16)18(22)26)5-3-4-6-20(1 4-24)7-8-20/h11-12,24,27H ,7-10,13-14H2,1-2H3,(H,21 ,25)/t19-/m1/s1; ROJCZRUQKASCDT-LJQANCHMSA-N |
C[C](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CO)CC3)( C(=O)NO)[S](C)(=O)=O; CC(CCN1Cc2cc(cn2C1 =O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C; C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO )(C(=O)NO)S(=O)(=O)C; C[C@@](CCN1Cc2cc(c n2C1=O)C#CC#CC3(CO)CC3)(C(=O)NO)[S](C)(= O)=O |
(2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| 22745 |  H2R CHEMBL1651524 ZINC000043205344 |
1 | C24 H23 F3 N4 O2 | InChI=1S/C24H23F3N4O2/c25 -24(26,27)19-6-7-22(29-15 -19)33-21-5-1-3-18(14-21) 13-17-8-11-31(12-9-17)23( 32)30-20-4-2-10-28-16-20/ h1-7,10,14-17H,8-9,11-13H 2,(H,30,32); NBOJHRYUGLRASX-UHFFFAOYSA-N |
c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC 3)C(=O)Nc4cccnc4; FC(F)(F)c1ccc(Oc2cccc( CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1 |
N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide |
| 22746 |  H2S CHEMBL1200739 |
5 | H2 S | InChI=1S/H2S/h1H2; RWSOTUBLDIXVET-UHFFFAOYSA-N |
S | HYDROSULFURIC ACID; HYDROGEN SULFIDE |
| 22747 |  H2T |
4 | C29 H30 Cl N7 O | InChI=1S/C29H30ClN7O/c1-5 -24(38)36-14-29(15-36)10- 20(11-29)37-17(3)25(26-21 -13-31-33-22(21)8-16(2)27 (26)30)28(34-37)18-6-7-23 -19(9-18)12-32-35(23)4/h6 -9,12-13,20H,5,10-11,14-1 5H2,1-4H3,(H,31,33); LQNLTKXYDGIQNW-UHFFFAOYSA-N |
CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4 )c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1; CCC(= O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccc5c(c4)c nn5C)c6c7cn[nH]c7cc(c6Cl)C)C |
1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
| 22748 |  H2U |
49 | C9 H15 N2 O9 P | InChI=1S/C9H15N2O9P/c12-5 -1-2-11(9(15)10-5)8-7(14) 6(13)4(20-8)3-19-21(16,17 )18/h4,6-8,13-14H,1-3H2,( H,10,12,15)(H2,16,17,18)/ t4-,6-,7-,8-/m1/s1; NBWDKGJHOHJBRJ-XVFCMESISA-N |
C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O )O; C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]( [C@H](O2)COP(=O)(O)O)O)O; O[C@H]1[C@@H]( O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O) NC2=O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)( O)=O)N2CCC(=O)NC2=O; O=C1N(CCC(=O)N1)C2O C(C(O)C2O)COP(=O)(O)O |
5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE |
| 22749 |  H2V ZINC000098208980 |
1 | C13 H26 N3 O8 P S | InChI=1S/C13H26N3O8PS/c1- 13(2,8-24-25(21,22)23)11( 19)12(20)16-4-3-9(17)15-5 -6-26-10(18)7-14/h11,19H, 3-8,14H2,1-2H3,(H,15,17)( H,16,20)(H2,21,22,23)/t11 -/m1/s1; CGYKHWUDQZHKBD-LLVKDONJSA-N |
CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(= O)CN)O; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O) NCCC(=O)NCCSC(=O)CN; CC(C)(CO[P](O)(O)=O )[C@H](O)C(=O)NCCC(=O)NCCSC(=O)CN; O=C(S CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)C N |
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate; S-glycyl-4'-phosphopantetheine |
| 22750 |  H2W ZINC000146090602 |
2 | C15 H9 Cl F N O | InChI=1S/C15H9ClFNO/c16-1 0-6-4-9(5-7-10)14-8-12-11 (15(19)18-14)2-1-3-13(12) 17/h1-8H,(H,18,19); YSBUWGJBGQCVAY-UHFFFAOYSA-N |
Fc1cccc2C(=O)NC(=Cc12)c3ccc(Cl)cc3; Clc3 ccc(C2=Cc1c(cccc1F)C(=O)N2)cc3; c1cc2c(c (c1)F)C=C(NC2=O)c3ccc(cc3)Cl |
3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one |
| 22751 |  H2X |
2 | C19 H23 Br N2 O2 | InChI=1S/C19H23BrN2O2/c1- 13(14-6-5-7-17(11-14)24-4 )22-19(2,3)21-12-15-10-16 (20)8-9-18(15)23/h5-11,21 ,23H,12H2,1-4H3/b22-13+; KYCOBMQFSPNZHT-LPYMAVHISA-N |
C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2 )OC; CC(=NC(C)(C)NCc1cc(ccc1O)Br)c2cccc( c2)OC; COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(B r)ccc2O |
4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
| 22752 |  H2Y CHEMBL1894393 ZINC000000304658 |
1 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c1-18 -13-6-4-11(5-7-13)9-14(17 )16-12-3-2-8-15-10-12/h2- 8,10H,9H2,1H3,(H,16,17); MQUBBMQYRRRRDN-UHFFFAOYSA-N |
COc1ccc(cc1)CC(=O)Nc2cccnc2; COc1ccc(CC( =O)Nc2cccnc2)cc1; N(C(Cc1ccc(OC)cc1)=O)c 2cnccc2 |
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide |
| 22753 |  H2Z CHEMBL4572056 |
2 | C25 H30 N4 O6 S | InChI=1S/C25H30N4O6S/c1-2 5(23(30)26-32,36(2,33)34) 9-10-28-18-22-15-21(17-29 (22)24(28)31)8-5-19-3-6-2 0(7-4-19)16-27-11-13-35-1 4-12-27/h3-4,6-7,15,17,32 H,9-14,16,18H2,1-2H3,(H,2 6,30)/t25-/m1/s1; HKFPYIZPYVWIPB-RUZDIDTESA-N |
CC(CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCO CC4)(C(=O)NO)S(=O)(=O)C; C[C@@](CCN1Cc2c c(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)N O)S(=O)(=O)C; C[C](CCN1Cc2cc(cn2C1=O)C#C c3ccc(CN4CCOCC4)cc3)(C(=O)NO)[S](C)(=O)= O; C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(CN4 CCOCC4)cc3)(C(=O)NO)[S](C)(=O)=O |
(2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide |
| 22754 |  H30 CHEMBL5266889 |
2 | C19 H25 N3 O | InChI=1S/C19H25N3O/c1-22- 9-3-5-13(6-10-22)14-11-16 -15(12-17(14)23-2)19(7-4- 8-19)18(20)21-16/h6,11-12 H,3-5,7-10H2,1-2H3,(H2,20 ,21); VMVRYCYPSDCNEH-UHFFFAOYSA-N |
CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3) N; COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CC C4 |
5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine |
| 22755 |  H31 |
1 | C17 H17 N O | InChI=1S/C17H17NO/c1-13-8 -10-14(11-9-13)15-5-2-3-6 -16(15)18-12-4-7-17(18)19 /h2-3,5-6,8-11H,4,7,12H2, 1H3; YEVWXVKNDBSTQP-UHFFFAOYSA-N |
c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3; Cc1ccc (cc1)c2ccccc2N3CCCC3=O |
1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one |
| 22756 |  H32 ZINC000584905607 |
1 | C15 H10 F N O4 | InChI=1S/C15H10FNO4/c16-1 1-6-9(4-5-12(11)18)17-7-8 -2-1-3-10(15(20)21)13(8)1 4(17)19/h1-6,18H,7H2,(H,2 0,21); KXNOWKVHICTJLR-UHFFFAOYSA-N |
OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3; c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3 )F)O |
2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
| 22757 |  H33 CHEMBL88611 DB14132 ZINC000100018165 |
1 | C7 H7 Cl N4 O2 | InChI=1S/C7H7ClN4O2/c1-11 -4-3(9-6(8)10-4)5(13)12(2 )7(11)14/h1-2H3,(H,9,10); RYIGNEOBDRVTHA-UHFFFAOYSA-N |
CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C; O=C2N( c1nc(Cl)nc1C(=O)N2C)C; CN1C(=O)N(C)c2nc( Cl)[nH]c2C1=O |
8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| 22758 |  H34 ZINC000095920795 |
4 | C23 H26 Cl N5 O | InChI=1S/C23H26ClN5O/c24- 17-4-5-19-20(11-17)26-21- 10-15-7-14(8-16(9-15)22(2 1)23(19)25)3-1-2-6-29-12- 18(13-30)27-28-29/h4-5,7, 11-12,15-16,30H,1-3,6,8-1 0,13H2,(H2,25,26)/t15-,16 +/m0/s1; MHMXFYDLGYPRNA-JKSUJKDBSA-N |
Nc1c2ccc(Cl)cc2nc3C[C@@H]4C[C@@H](CC(=C4 )CCCCn5cc(CO)nn5)c13; Clc2ccc1c(N)c4c(nc 1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5; Nc1c2c cc(Cl)cc2nc3C[CH]4C[CH](CC(=C4)CCCCn5cc( CO)nn5)c13; c1cc2c(cc1Cl)nc3c(c2N)[C@H]4 C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO; c1cc2 c(cc1Cl)nc3c(c2N)C4CC(C3)C=C(C4)CCCCn5cc (nn5)CO |
(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL |
| 22759 |  H35 CHEMBL228792 DB11336 ZINC000000001601 |
11 | C10 H9 N5 O | InChI=1S/C10H9N5O/c1-2-7( 16-3-1)4-11-9-8-10(13-5-1 2-8)15-6-14-9/h1-3,5-6H,4 H2,(H2,11,12,13,14,15); QANMHLXAZMSUEX-UHFFFAOYSA-N |
C(Nc1ncnc2nc[nH]c12)c3occc3; n2c(NCc1occ c1)c3ncnc3nc2; c1cc(oc1)CNc2c3c(nc[nH]3) ncn2 |
N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE |
| 22760 |  H36 CHEMBL3128243 ZINC000098208982 |
3 | C24 H22 N4 O2 S2 | InChI=1S/C24H22N4O2S2/c25 -23(21-9-3-13-31-21)27-17 -5-1-7-19(15-17)29-11-12- 30-20-8-2-6-18(16-20)28-2 4(26)22-10-4-14-32-22/h1- 10,13-16H,11-12H2,(H2,25, 27)(H2,26,28); FJVFGYSUSVNZDG-UHFFFAOYSA-N |
N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3sccc3)c2) c1)c4sccc4; s1cccc1C(=[N@H])Nc4cccc(OCCO c3cc(NC(=[N@H])c2sccc2)ccc3)c4; c1cc(cc( c1)OCCOc2cccc(c2)NC(=N)c3cccs3)NC(=N)c4c ccs4; [H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2) N/C(=N/[H])/c3sccc3)/c4sccc4 |
N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide |
| 22761 |  H37 ZINC000013551978 |
3 | C25 H33 Cl N6 O3 | InChI=1S/C25H33ClN6O3/c26 -16-22(33)20(12-7-13-30-2 5(28)29)31-24(35)21(15-18 -10-5-2-6-11-18)32-23(34) 19(27)14-17-8-3-1-4-9-17/ h1-6,8-11,19-21H,7,12-16, 27H2,(H,31,35)(H,32,34)(H 4,28,29,30)/t19-,20+,21+/ m1/s1; PJFSUJMJVYGASC-HKBOAZHASA-N |
ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc 2ccccc2)CCCNC(=[N@H])N; c1ccc(cc1)CC(C(= O)NC(Cc2ccccc2)C(=O)NC(CCCNC(=N)N)C(=O)C Cl)N; [H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC (=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2cccc c2)N; N[CH](Cc1ccccc1)C(=O)N[CH](Cc2cccc c2)C(=O)N[CH](CCCNC(N)=N)C(=O)CCl; N[C@H ](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O) N[C@@H](CCCNC(N)=N)C(=O)CCl |
D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide; FFRCK |
| 22762 |  H38 CHEMBL3125050 ZINC000098208983 |
2 | C22 H18 N4 S2 | InChI=1S/C22H18N4S2/c23-2 1(19-9-3-11-27-19)25-17-7 -1-5-15(13-17)16-6-2-8-18 (14-16)26-22(24)20-10-4-1 2-28-20/h1-14H,(H2,23,25) (H2,24,26); ACHJMDNIBGAZJH-UHFFFAOYSA-N |
[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H] )/c3sccc3)/c4sccc4; s1cccc1C(=[N@H])Nc2c ccc(c2)c3cc(ccc3)NC(=[N@H])c4sccc4; c1cc (cc(c1)NC(=N)c2cccs2)c3cccc(c3)NC(=N)c4c ccs4; N=C(Nc1cccc(c1)c2cccc(NC(=N)c3sccc 3)c2)c4sccc4 |
N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide |
| 22763 |  H39 ZINC000095920999 |
2 | C21 H26 N2 O5 | InChI=1S/C21H26N2O5/c1-13 (2)7-15(11-23-18(24)9-14- 5-6-22-10-14)8-16-3-4-17- 20(28-12-27-17)19(16)21(2 5)26/h3-6,10,13,15,22H,7- 9,11-12H2,1-2H3,(H,23,24) (H,25,26)/t15-/m0/s1; NTYRVXHMFKAXSQ-HNNXBMFYSA-N |
CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc 3cc[nH]c3; O=C(O)c1c(ccc2OCOc12)CC(CC(C) C)CNC(=O)Cc3ccnc3; CC(C)C[CH](CNC(=O)Cc1 c[nH]cc1)Cc2ccc3OCOc3c2C(O)=O; CC(C)C[C@ @H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[ nH]c3; CC(C)C[C@H](CNC(=O)Cc1c[nH]cc1)Cc 2ccc3OCOc3c2C(O)=O |
5-[(2S)-4-methyl-2-{[(1H-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid |
| 22764 |  H3A ZINC000003548349 |
1 | C15 H14 Cl N O2 | InChI=1S/C15H14ClNO2/c1-1 9-14-7-2-4-11(8-14)9-15(1 8)17-13-6-3-5-12(16)10-13 /h2-8,10H,9H2,1H3,(H,17,1 8); NQDLKNWLTCKGFR-UHFFFAOYSA-N |
COc1cccc(CC(=O)Nc2cccc(Cl)c2)c1; N(C(Cc1 cccc(c1)OC)=O)c2cccc(c2)Cl; COc1cccc(c1) CC(=O)Nc2cccc(c2)Cl |
N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide |
| 22765 |  H3B ZINC000169748302 |
1 | C6 H16 O3 S Si | InChI=1S/C6H16O3SSi/c1-11 (2,3)6-4-5-10(7,8)9/h4-6H 2,1-3H3,(H,7,8,9); TVZRAEYQIKYCPH-UHFFFAOYSA-N |
C[Si](C)(C)CCC[S](O)(=O)=O; C[Si](C)(C)C CCS(=O)(=O)O |
3-trimethylsilylpropane-1-sulfonic acid |
| 22766 |  H3C CHEMBL3916243 DB15307 |
1 | C18 H14 F N5 O S | InChI=1S/C18H14FN5OS/c1-1 8(6-7-26-17(21)24-18)13-8 -12(3-4-14(13)19)23-16(25 )15-5-2-11(9-20)10-22-15/ h2-8,10H,1H3,(H2,21,24)(H ,23,25)/t18-/m0/s1; VLLFGVHGKLDDLW-SFHVURJKSA-N |
C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3cc c(cn3)C#N; C[C@]1(C=CSC(=N1)N)c2cc(NC(=O )c3ccc(cn3)C#N)ccc2F; C[C]1(C=CSC(=N1)N) c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F; CC1(C=CS C(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N |
N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
| 22767 |  H3D |
1 | C15 H19 N O3 | InChI=1S/C15H19NO3/c1-11( 17)16-15(6-2-3-7-15)12-4- 5-13-14(10-12)19-9-8-18-1 3/h4-5,10H,2-3,6-9H2,1H3, (H,16,17); RVYUUTVAMYXICP-UHFFFAOYSA-N |
CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2; C3C(c1cc 2c(cc1)OCCO2)(NC(=O)C)CCC3; CC(=O)NC1(CC CC1)c2ccc3c(c2)OCCO3 |
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide |
| 22768 |  H3E |
1 | C21 H17 N5 O | InChI=1S/C21H17N5O/c1-25- 12-17(10-22-25)19-7-8-20- 21(24-19)18(14-27-20)16-9 -23-26(13-16)11-15-5-3-2- 4-6-15/h2-10,12-14H,11H2, 1H3; IAJZCWZPVNGTMZ-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5c cccc5; Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5cccc c5)c4)c3n2 |
5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine |
| 22769 |  H3F ZINC000009294040 |
1 | C24 H28 F3 N3 O3 | InChI=1S/C24H28F3N3O3/c1- 14-11-20(32-4)30-22-18(29 -15(2)7-6-10-28)13-19(31- 3)23(21(14)22)33-17-9-5-8 -16(12-17)24(25,26)27/h5, 8-9,11-13,15,29H,6-7,10,2 8H2,1-4H3/t15-/m0/s1; LBHLFPGPEGDCJG-HNNXBMFYSA-N |
Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3c ccc(c3)C(F)(F)F)OC; COc1cc(C)c2c(Oc3cccc (c3)C(F)(F)F)c(OC)cc(N[C@@H](C)CCCN)c2n1 ; Cc1cc(nc2c1c(c(cc2NC(C)CCCN)OC)Oc3cccc (c3)C(F)(F)F)OC; COc1cc(C)c2c(Oc3cccc(c3 )C(F)(F)F)c(OC)cc(N[CH](C)CCCN)c2n1 |
Tafenoquine; (4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine |
| 22770 |  H3G CHEMBL1978385 ZINC000000346025 |
1 | C16 H23 N O | InChI=1S/C16H23NO/c1-16(2 ,3)14-9-11-17(12-10-14)15 (18)13-7-5-4-6-8-13/h4-8, 14H,9-12H2,1-3H3; UVPFTRNYXLMKBI-UHFFFAOYSA-N |
N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2; CC(C) (C)C1CCN(CC1)C(=O)c2ccccc2 |
(4-tert-butylpiperidin-1-yl)(phenyl)methanone |
| 22771 |  H3H |
3 | C20 H19 N3 O2 | InChI=1S/C20H19N3O2/c1-13 (2)25-16-6-4-5-14(9-16)17 -12-24-19-8-7-18(22-20(17 )19)15-10-21-23(3)11-15/h 4-13H,1-3H3; QSJHQGFGDSZWSD-UHFFFAOYSA-N |
CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c 4; CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn( c4)C |
5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine |
| 22772 |  H3I |
1 | C20 H24 N12 O6 | InChI=1S/C20H24N12O6/c21- 8(19(35)36)1-2-31(20(37)3 0-16-11-15(25-4-23-11)26- 6-27-16)3-9-12(33)13(34)1 8(38-9)32-7-29-10-14(22)2 4-5-28-17(10)32/h4-9,12-1 3,18,33-34H,1-3,21H2,(H,3 5,36)(H2,22,24,28)(H2,23, 25,26,27,30,37)/t8-,9+,12 -,13?,18+/m0/s1; OORXHLVXCSLOBF-WXSQNYJTSA-N |
c1[nH]c2c(n1)ncnc2NC(=O)N(CCC(C(=O)O)N)C C3C(C(C(O3)n4cnc5c4ncnc5N)O)O; N[CH](CCN (C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncn c23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O; N[C@@ H](CCN(C[C@H]1O[C@H]([C@@H](O)[C@H]1O)n2 cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C( O)=O; c1[nH]c2c(n1)ncnc2NC(=O)N(CC[C@@H] (C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3) n4cnc5c4ncnc5N)O)O |
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid |
| 22773 |  H3J |
1 | C11 H9 N O2 | InChI=1S/C11H9NO2/c1-8-4- 5-10(13)11(8)14-9-3-2-6-1 2-7-9/h2-7H,1H3; OXHUSRBHFWQZGQ-UHFFFAOYSA-N |
CC1=C(C(=O)C=C1)Oc2cccnc2; CC1=C(Oc2cccn c2)C(=O)C=C1; n2cccc(OC=1C(C=CC=1C)=O)c2 |
3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one |
| 22774 |  H3K ZINC000042924004 |
1 | C17 H17 Br N6 O2 | InChI=1S/C17H17BrN6O2/c18 -11-3-4-15(24-5-1-2-13(25 )10-24)14(6-11)22-17(26)2 3-16-9-20-12(7-19)8-21-16 /h3-4,6,8-9,13,25H,1-2,5, 10H2,(H2,21,22,23,26)/t13 -/m1/s1; BBKALDDXSCLMBB-CYBMUJFWSA-N |
c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[ C@H](C3)O; c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2 )C#N)N3CCCC(C3)O; O[CH]1CCCN(C1)c2ccc(Br )cc2NC(=O)Nc3cnc(cn3)C#N; O[C@@H]1CCCN(C 1)c2ccc(Br)cc2NC(=O)Nc3cnc(cn3)C#N; N#Cc 1ncc(nc1)NC(=O)Nc2cc(Br)ccc2N3CCCC(O)C3 |
1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea |
| 22775 |  H3L ZINC000042383647 |
1 | C5 H10 N4 | InChI=1S/C5H10N4/c1-4(6)5 -7-3-8-9(5)2/h3-4H,6H2,1- 2H3/t4-/m0/s1; OCXIKYJPCILJLE-BYPYZUCNSA-N |
CC(c1ncnn1C)N; C[C@@H](c1ncnn1C)N; C[C@H ](N)c1ncnn1C; C[CH](N)c1ncnn1C |
(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine |
| 22776 |  H3M ZINC000014490248 |
2 | C5 H6 O3 | InChI=1S/C5H6O3/c1-3-2-4( 6)8-5(3)7/h2,4,6H,1H3/t4- /m1/s1; HQIZYPQNJWENRT-SCSAIBSYSA-N |
CC1=C[CH](O)OC1=O; CC1=CC(OC1=O)O; CC1=C [C@@H](OC1=O)O; O=C1OC(O)C=C1C; CC1=C[C@ H](O)OC1=O |
(5R)-5-hydroxy-3-methylfuran-2(5H)-one |
| 22777 |  H3N CHEMBL4751637 |
1 | C23 H17 N3 O2 | InChI=1S/C23H17N3O2/c1-26 -14-17(13-24-26)21-10-11- 22-23(25-21)20(15-27-22)1 6-6-5-9-19(12-16)28-18-7- 3-2-4-8-18/h2-15H,1H3; RDHFKBABHOAOCH-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5 ccccc5; Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5cc ccc5)c4)c3n2 |
5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine |
| 22778 |  H3P CHEMBL496 DB00756 ZINC000001530968 |
8 | C13 H6 Cl6 O2 | InChI=1S/C13H6Cl6O2/c14-6 -2-8(16)12(20)4(10(6)18)1 -5-11(19)7(15)3-9(17)13(5 )21/h2-3,20-21H,1H2; ACGUYXCXAPNIKK-UHFFFAOYSA-N |
Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c 2Cl; c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl )Cl)O)O)Cl; Clc1c(c(O)c(Cl)cc1Cl)Cc2c(O) c(Cl)cc(Cl)c2Cl |
2,2'-methanediylbis(3,4,6-trichlorophenol) |
| 22779 |  H3Q |
3 | C21 H19 N3 O | InChI=1S/C21H19N3O/c1-24- 12-17(11-22-24)19-8-9-20- 21(23-19)18(13-25-20)16-7 -3-6-15(10-16)14-4-2-5-14 /h3,6-14H,2,4-5H2,1H3; DDWOGFZIVMALPO-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5C CC5; Cn1cc(cn1)c2ccc3occ(c4cccc(c4)C5CCC 5)c3n2 |
3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine |
| 22780 |  H3R CHEMBL1411986 ZINC000003832560 |
3 | C10 H10 N2 | InChI=1S/C10H10N2/c1-8-7- 10(12-11-8)9-5-3-2-4-6-9/ h2-7H,1H3,(H,11,12); QHRSESMSOJZMCO-UHFFFAOYSA-N |
n2c(cc(c1ccccc1)n2)C; Cc1cc([nH]n1)c2ccc cc2 |
5-METHYL-3-PHENYL-1H-PYRAZOLE |
| 22781 |  H3S |
0 | C12 H16 N O16 S2 | InChI=1S/C12H19NO16S2/c14 -2-5-9(7(16)6(11(19)26-5) 13-30(20,21)22)28-12-8(29 -31(23,24)25)3(15)1-4(27- 12)10(17)18/h1,3,5-9,11-1 6,19H,2H2,(H,17,18)(H,20, 21,22)(H,23,24,25)/p-3/t3 -,5+,6+,7+,8+,9+,11-,12-/ m0/s1; GSYQGRODWXMUOO-GYBHJADLSA-K |
OC[CH]1O[CH](O)[CH](N[S]([O-])(=O)=O)[CH ](O)[CH]1O[CH]2OC(=C[CH](O)[CH]2O[S]([O- ])(=O)=O)C([O-])=O; C1=C(O[C@H]([C@@H]([ C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@ @H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C (=O)[O-]; OC[C@H]1O[C@H](O)[C@H](N[S]([O -])(=O)=O)[C@@H](O)[C@@H]1O[C@@H]2OC(=C[ C@H](O)[C@H]2O[S]([O-])(=O)=O)C([O-])=O; [O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C( NS([O-])(=O)=O)C1O)CO)C([O-])=O; C1=C(OC (C(C1O)OS(=O)(=O)[O-])OC2C(OC(C(C2O)NS(= O)(=O)[O-])O)CO)C(=O)[O-] |
HEPARIN DISACCHARIDE III-S |
| 22782 |  H3T |
1 | C39 H75 O10 P | InChI=1S/C39H75O10P/c1-3- 5-7-9-10-11-12-13-14-15-1 6-19-23-27-38(42)46-32-37 (33-48-50(44,45)47-31-36( 41)30-40)49-39(43)28-24-2 0-17-18-22-26-35-29-34(35 )25-21-8-6-4-2/h34-37,40- 41H,3-33H2,1-2H3,(H,44,45 )/t34-,35+,36-,37+/m0/s1; JWIOKCJPLNKYBQ-TWHRXLCVSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC [C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1C CCCCC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O )OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC; CCCC CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C @@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CC CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O )(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH] 1CCCCCC |
Phospholipid PG(16:0/cy17:0) |
| 22783 |  H3U CHEMBL2009384 ZINC000082186151 |
2 | C25 H21 N3 O11 S3 | InChI=1S/C25H21N3O11S3/c1 -13-5-6-15(10-20(13)28-24 (29)14-3-2-4-16(26)9-14)2 5(30)27-19-7-8-21(41(34,3 5)36)18-11-17(40(31,32)33 )12-22(23(18)19)42(37,38) 39/h2-12H,26H2,1H3,(H,27, 30)(H,28,29)(H,31,32,33)( H,34,35,36)(H,37,38,39); FWPDBHFZCRXISJ-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc( c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S ](O)(=O)=O; Cc1ccc(cc1NC(=O)c2cccc(c2)N) C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O) (=O)O)S(=O)(=O)O |
8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid |
| 22784 |  H3V ZINC000013746932 |
1 | C11 H10 N2 O2 | InChI=1S/C11H10N2O2/c14-1 1(12-10-6-7-15-13-10)8-9- 4-2-1-3-5-9/h1-7H,8H2,(H, 12,13,14); SGBROXCJKREELC-UHFFFAOYSA-N |
N(C(Cc1ccccc1)=O)c2ccon2; c1ccc(cc1)CC(= O)Nc2ccon2; O=C(Cc1ccccc1)Nc2ccon2 |
N-(1,2-oxazol-3-yl)-2-phenylacetamide |
| 22785 |  H3W CHEMBL371077 ZINC000000394751 |
2 | C16 H18 O2 | InChI=1S/C16H18O2/c1-3-16 (2,12-4-8-14(17)9-5-12)13 -6-10-15(18)11-7-13/h4-11 ,17-18H,3H2,1-2H3; HTVITOHKHWFJKO-UHFFFAOYSA-N |
CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2; CCC(C)(c 1ccc(cc1)O)c2ccc(cc2)O |
bisphenol-B |
| 22786 |  H3X CHEMBL3927053 |
3 | C26 H38 O6 | InChI=1S/C26H38O6/c1-14-9 -10-17-23(4,5)31-18(27)11 -12-25(17,7)26(14)13-24(6 )16(3)19(22(29)30-8)20(28 )15(2)21(24)32-26/h14,16- 17,19H,9-13H2,1-8H3/t14-, 16-,17-,19-,24+,25-,26-/m 0/s1; GUSKPTPZRRTGAQ-IGZQQFENSA-N |
COC(=O)[C@H]1[C@H](C)[C@@]2(C)C[C@]3(OC2 =C(C)C1=O)[C@@H](C)CC[C@H]4C(C)(C)OC(=O) CC[C@]34C; COC(=O)[CH]1[CH](C)[C]2(C)C[C ]3(OC2=C(C)C1=O)[CH](C)CC[CH]4C(C)(C)OC( =O)CC[C]34C; CC1CCC2C(OC(=O)CCC2(C13CC4( C(C(C(=O)C(=C4O3)C)C(=O)OC)C)C)C)(C)C; C [C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H] ([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC( =O)OC2(C)C)C |
methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate |
| 22787 |  H3Y |
1 | C15 H20 N2 O | InChI=1S/C15H20N2O/c18-14 -7-12(10-4-2-1-3-5-10)13- 6-11-8-16-9-15(11,14)17-1 3/h1-5,11-14,16-18H,6-9H2 /t11-,12-,13-,14+,15+/m1/ s1; WNBPFOXFPIFLPO-ZSAUSMIDSA-N |
c1ccc(cc1)C2CC(C34CNCC3CC2N4)O; O[CH]1C[ CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4; O[C@ H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N2)c4 ccccc4; c1ccc(cc1)[C@H]2C[C@@H]([C@]34CN C[C@H]3C[C@H]2N4)O; N1C3CC2C1(CNC2)C(O)C C3c4ccccc4 |
(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol |
| 22788 |  H3Z CHEMBL29966 ZINC000001577074 |
1 | C9 H12 O | InChI=1S/C9H12O/c1-7(2)8- 3-5-9(10)6-4-8/h3-7,10H,1 -2H3; YQUQWHNMBPIWGK-UHFFFAOYSA-N |
CC(C)c1ccc(cc1)O; CC(C)c1ccc(O)cc1 | 4-propan-2-ylphenol |
| 22789 |  H40 |
1 | C16 H18 Br N3 O2 S | InChI=1S/C16H18BrN3O2S/c1 -2-16(22)19-11-3-5-12(6-4 -11)23-13-9-14(17)20-15(1 0-13)18-7-8-21/h3-6,9-10, 21H,2,7-8H2,1H3,(H,18,20) (H,19,22); CBJBUQFOVDHMPS-UHFFFAOYSA-N |
Brc1cc(Sc2ccc(NC(=O)CC)cc2)cc(NCCO)n1; C CC(=O)Nc1ccc(cc1)Sc2cc(nc(c2)Br)NCCO; CC C(=O)Nc1ccc(Sc2cc(Br)nc(NCCO)c2)cc1 |
~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide |
| 22790 |  H41 CHEMBL3818617 ZINC000504786915 |
1 | C22 H20 Cl2 F2 N6 O3 | InChI=1S/C22H20Cl2F2N6O3/ c1-2-31(19(34)11-33)18-10 -32(30-20(18)13-6-7-16(23 )17(24)8-13)22(28-12-27)2 9-14-4-3-5-15(9-14)35-21( 25)26/h3-9,18,21,33H,2,10 -11H2,1H3,(H,28,29)/t18-/ m0/s1; OTTJIRVZJJGFTK-SFHVURJKSA-N |
CCN(C1CN(N=C1c2ccc(c(c2)Cl)Cl)C(=NC#N)Nc 3cccc(c3)OC(F)F)C(=O)CO; CCN([C@H]1CN(N= C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3 )OC(F)F)C(=O)CO; CCN([CH]1CN(N=C1c2ccc(C l)c(Cl)c2)C(Nc3cccc(OC(F)F)c3)=NC#N)C(=O )CO; CCN([C@H]1CN(N=C1c2ccc(Cl)c(Cl)c2)C (Nc3cccc(OC(F)F)c3)=NC#N)C(=O)CO |
N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE |
| 22791 |  H42 ZINC000003861315 |
1 | C10 H12 O | InChI=1S/C10H12O/c11-10-6 -5-8-3-1-2-4-9(8)7-10/h5- 7,11H,1-4H2; UMKXSOXZAXIOPJ-UHFFFAOYSA-N |
c1cc2c(cc1O)CCCC2; Oc1ccc2CCCCc2c1 | 5,6,7,8-tetrahydronaphthalen-2-ol |
| 22792 |  H43 CHEMBL4297621 DB12388 |
4 | C24 H26 N2 O2 | InChI=1S/C24H26N2O2/c1-17 (22-8-4-6-19-5-2-3-7-23(1 9)22)25-20-13-14-26(16-20 )21-11-9-18(10-12-21)15-2 4(27)28/h2-12,17,20,25H,1 3-16H2,1H3,(H,27,28)/t17- ,20+/m1/s1; RZNUIYPHQFXBAN-XLIONFOSSA-N |
C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4cc c(cc4)CC(=O)O; C[C@@H](N[C@H]1CCN(C1)c2c cc(CC(O)=O)cc2)c3cccc4ccccc34; CC(c1cccc 2c1cccc2)NC3CCN(C3)c4ccc(cc4)CC(=O)O; C[ CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3ccc c4ccccc34 |
2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid; Evocalcet |
| 22793 |  H44 CHEMBL3128246 ZINC000098208984 |
4 | C25 H25 N5 S2 | InChI=1S/C25H25N5S2/c26-2 4(22-6-2-14-31-22)29-20-1 0-8-18(9-11-20)12-13-28-1 7-19-4-1-5-21(16-19)30-25 (27)23-7-3-15-32-23/h1-11 ,14-16,28H,12-13,17H2,(H2 ,26,29)(H2,27,30); RWYJTZOFPFOVAE-UHFFFAOYSA-N |
N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c c1)c4sccc4; [H]/N=C(/c1cccs1)\Nc2ccc(cc2 )CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4; c1cc (cc(c1)NC(=N)c2cccs2)CNCCc3ccc(cc3)NC(=N )c4cccs4; s1cccc1C(=[N@H])Nc2ccc(cc2)CCN Cc3cc(ccc3)NC(=[N@H])c4sccc4 |
N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide |
| 22794 |  H45 CHEMBL3128245 ZINC000098208985 |
2 | C25 H25 N5 S2 | InChI=1S/C25H25N5S2/c26-2 4(22-9-3-13-31-22)29-20-7 -1-5-18(15-20)11-12-28-17 -19-6-2-8-21(16-19)30-25( 27)23-10-4-14-32-23/h1-10 ,13-16,28H,11-12,17H2,(H2 ,26,29)(H2,27,30); XOPUOZGTJJXXTH-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=N)c2cccs2)CCNCc3cccc(c3)N C(=N)c4cccs4; N=C(Nc1cccc(CCNCc2cccc(NC( =N)c3sccc3)c2)c1)c4sccc4; s1cccc1C(=[N@H ])Nc2cccc(c2)CCNCc3cc(ccc3)NC(=[N@H])c4s ccc4; [H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc 3cccc(c3)N/C(=N\[H])/c4cccs4 |
N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide |
| 22795 |  H46 CHEMBL1823578 ZINC000043207267 |
1 | C34 H36 F N5 O2 | InChI=1S/C34H36FN5O2/c1-3 -38(4-2)34(42)32(25-11-6- 5-7-12-25)40-21-19-39(20- 22-40)31-17-16-27(23-30(3 1)35)37-33(41)29-15-9-8-1 4-28(29)26-13-10-18-36-24 -26/h5-18,23-24,32H,3-4,1 9-22H2,1-2H3,(H,37,41)/t3 2-/m0/s1; OVUNRYUVDVWTTE-YTTGMZPUSA-N |
CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3c cc(cc3F)NC(=O)c4ccccc4c5cccnc5; CCN(CC)C (=O)C(c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(= O)c4ccccc4c5cccnc5; CCN(CC)C(=O)[CH](N1C CN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F )c5ccccc5; CCN(CC)C(=O)[C@@H](N1CCN(CC1) c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5cccc c5 |
~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide |
| 22796 |  H47 |
1 | C12 H12 N2 O3 | InChI=1S/C12H12N2O3/c1-16 -10-4-2-3-9(7-10)8-12(15) 13-11-5-6-17-14-11/h2-7H, 8H2,1H3,(H,13,14,15); LFZVRGLOBRIGDU-UHFFFAOYSA-N |
N(C(Cc1cccc(OC)c1)=O)c2ccon2; COc1cccc(C C(=O)Nc2ccon2)c1; COc1cccc(c1)CC(=O)Nc2c con2 |
2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide |
| 22797 |  H48 CHEMBL2392656 ZINC000000057029 |
3 | C14 H14 O2 | InChI=1S/C14H14O2/c1-10(1 1-2-6-13(15)7-3-11)12-4-8 -14(16)9-5-12/h2-10,15-16 H,1H3; HCNHNBLSNVSJTJ-UHFFFAOYSA-N |
CC(c1ccc(cc1)O)c2ccc(cc2)O; CC(c1ccc(O)c c1)c2ccc(O)cc2 |
4-[1-(4-hydroxyphenyl)ethyl]phenol |
| 22798 |  H49 ZINC000223077829 |
1 | C17 H22 N4 S | InChI=1S/C17H22N4S/c18-17 (16-7-3-9-22-16)21-14-5-1 -4-13(10-14)11-19-12-15-6 -2-8-20-15/h1,3-5,7,9-10, 15,19-20H,2,6,8,11-12H2,( H2,18,21)/t15-/m0/s1; MRTCFHYZEYSLIF-HNNXBMFYSA-N |
c1cc(cc(c1)NC(=N)c2cccs2)CNCC3CCCN3; N=C (Nc1cccc(CNC[CH]2CCCN2)c1)c3sccc3; c1cc( cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3; N=C (Nc1cccc(CNC[C@@H]2CCCN2)c1)c3sccc3 |
(S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide |
| 22799 |  H4A |
1 | C15 H20 N2 O | InChI=1S/C15H20N2O/c18-14 -7-12(10-4-2-1-3-5-10)13- 6-11-8-16-9-15(11,14)17-1 3/h1-5,11-14,16-18H,6-9H2 /t11-,12-,13-,14-,15+/m1/ s1; WNBPFOXFPIFLPO-RYPNDVFKSA-N |
c1ccc(cc1)C2CC(C34CNCC3CC2N4)O; N1CC3C4( C1)C(O)CC(c2ccccc2)C(C3)N4; c1ccc(cc1)[C @H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O; O [C@@H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N 2)c4ccccc4; O[CH]1C[CH]([CH]2C[CH]3CNC[C ]13N2)c4ccccc4 |
(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol |
| 22800 |  H4B CHEMBL1201774 DB00360 ZINC000013585233 |
2510 | C9 H15 N5 O3 | InChI=1S/C9H15N5O3/c1-3(1 5)6(16)4-2-11-7-5(12-4)8( 17)14-9(10)13-7/h3-4,6,12 ,15-16H,2H2,1H3,(H4,10,11 ,13,14,17)/t3-,4+,6-/m0/s 1; FNKQXYHWGSIFBK-RPDRRWSUSA-N |
O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C( C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([ C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C (=O)NC(=N2)N |
5,6,7,8-TETRAHYDROBIOPTERIN |