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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 17001 |  A1ITV |
1 | C26 H18 Cl N3 O4 | InChI=1S/C26H18ClN3O4/c27 -16-4-3-5-18(12-16)30(25( 33)21-13-23(31)20-7-2-1-6 -19(20)21)17-10-8-15(9-11 -17)22-14-28-26(34)29-24( 22)32/h1-12,14,21H,13H2,( H2,28,29,32,34)/t21-/m1/s 1; WUIFAQSQLPAHRA-OAQYLSRUSA-N |
c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)C4=C NC(=O)NC4=O)c5cccc(c5)Cl; c1ccc2c(c1)[C@ @H](CC2=O)C(=O)N(c3ccc(cc3)C4=CNC(=O)NC4 =O)c5cccc(c5)Cl; Clc1cccc(c1)N(C(=O)[CH] 2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5 =O; Clc1cccc(c1)N(C(=O)[C@@H]2CC(=O)c3cc ccc23)c4ccc(cc4)C5=CNC(=O)NC5=O |
(1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide; (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide |
| 17002 |  A1ITW |
1 | C21 H21 N O2 | InChI=1S/C21H21NO2/c23-20 -13-19(17-10-4-5-11-18(17 )20)21(24)22-12-6-9-16(14 -22)15-7-2-1-3-8-15/h1-5, 7-8,10-11,16,19H,6,9,12-1 4H2/t16-,19-/m0/s1; SIVSQHBZCSYPQG-LPHOPBHVSA-N |
c1ccc(cc1)C2CCCN(C2)C(=O)C3CC(=O)c4c3ccc c4; O=C1C[CH](C(=O)N2CCC[CH](C2)c3ccccc3 )c4ccccc14; O=C1C[C@H](C(=O)N2CCC[C@@H]( C2)c3ccccc3)c4ccccc14; c1ccc(cc1)[C@H]2C CCN(C2)C(=O)[C@H]3CC(=O)c4c3cccc4 |
(3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one; (3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one |
| 17003 |  A1ITX |
1 | C12 H12 O4 S | InChI=1S/C12H12O4S/c1-2-1 6-11-7-8-12(17(13,14)15)1 0-6-4-3-5-9(10)11/h3-8H,2 H2,1H3,(H,13,14,15); PMPLWDDMMDSMCW-UHFFFAOYSA-N |
CCOc1ccc(c2c1cccc2)S(=O)(=O)O; CCOc1ccc( c2ccccc12)[S](O)(=O)=O |
4-ethoxynaphthalene-1-sulfonic acid |
| 17004 |  A1ITY |
1 | C19 H18 O6 S | InChI=1S/C19H18O6S/c1-23- 14-9-13(10-15(11-14)24-2) 12-25-18-7-8-19(26(20,21) 22)17-6-4-3-5-16(17)18/h3 -11H,12H2,1-2H3,(H,20,21, 22); HBRBRSZOPKJOKW-UHFFFAOYSA-N |
COc1cc(cc(c1)OC)COc2ccc(c3c2cccc3)S(=O)( =O)O; COc1cc(COc2ccc(c3ccccc23)[S](O)(=O )=O)cc(OC)c1 |
4-[(3,5-dimethoxyphenyl)methoxy]naphthalene-1-sulfonic acid |
| 17005 |  A1ITZ CHEMBL1724802 |
3 | C11 H11 N3 O | InChI=1S/C11H11N3O/c1-2-7 -12-9(6-1)10-13-11(15-14- 10)8-4-3-5-8/h1-2,6-8H,3- 5H2; FCTPHBMVNNDUSQ-UHFFFAOYSA-N |
c1ccnc(c1)c2nc(on2)C3CCC3; C1CC(C1)c2onc (n2)c3ccccn3 |
5-cyclobutyl-3-pyridin-2-yl-1,2,4-oxadiazole |
| 17006 |  A1IU1 CHEMBL1305713 |
3 | C11 H11 N O3 | InChI=1S/C11H11NO3/c1-8-1 0(4-6-14-8)11(13)12-7-9-3 -2-5-15-9/h2-6H,7H2,1H3,( H,12,13); ZSEHNDARAQYZIE-UHFFFAOYSA-N |
Cc1c(cco1)C(=O)NCc2ccco2; Cc1occc1C(=O)N Cc2occc2 |
~{N}-(furan-2-ylmethyl)-2-methyl-furan-3-carboxamide |
| 17007 |  A1IU2 |
2 | C13 H15 N5 O3 | InChI=1S/C13H15N5O3/c1-9- 8-11(18-21-9)17-13(20)15- 7-4-12(19)16-10-2-5-14-6- 3-10/h2-3,5-6,8H,4,7H2,1H 3,(H,14,16,19)(H2,15,17,1 8,20); CHTQBKADVVXGAL-UHFFFAOYSA-N |
Cc1onc(NC(=O)NCCC(=O)Nc2ccncc2)c1; Cc1cc (no1)NC(=O)NCCC(=O)Nc2ccncc2 |
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-~{N}-pyridin-4-yl-propanamide |
| 17008 |  A1IU3 |
1 | C30 H32 Br N5 O4 | InChI=1S/C30H32BrN5O4/c31 -22-9-4-5-10-25(22)35-13- 6-14-36(35)29(38)28(20-7- 2-1-3-8-20)34-30(39)32-17 -19-11-12-23-21(15-19)27- 16-24(33-23)26(37)18-40-2 7/h1-5,7-12,15,24,26-28,3 3,37H,6,13-14,16-18H2,(H2 ,32,34,39)/t24-,26-,27+,2 8-/m1/s1; RTBDXIOARRJWTD-AOGFTHLWSA-N |
O[C@@H]1CO[C@@H]2C[C@H]1Nc3ccc(CNC(=O)N[ C@H](C(=O)N4CCCN4c5ccccc5Br)c6ccccc6)cc2 3; c1ccc(cc1)C(C(=O)N2CCCN2c3ccccc3Br)NC (=O)NCc4ccc5c(c4)C6CC(N5)C(CO6)O; c1ccc( cc1)[C@@H](C(=O)N2CCCN2c3ccccc3Br)NC(=O) NCc4ccc5c(c4)[C@H]6C[C@@H](N5)[C@@H](CO6 )O; O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)N[C H](C(=O)N4CCCN4c5ccccc5Br)c6ccccc6)cc23 |
1-[(1~{S})-2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]-3-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea |
| 17009 |  A1IU4 |
0 | C11 H8 N2 O5 | InChI=1S/C11H8N2O5/c14-8- 4-7(10(15)16)12-9-5(8)2-1 -3-6(9)13-11(17)18/h1-4,1 3H,(H,12,14)(H,15,16)(H,1 7,18); TZFHATGCWAKOOM-UHFFFAOYSA-N |
c1cc2c(cc(nc2c(c1)NC(=O)O)C(=O)O)O; OC(= O)Nc1cccc2c(O)cc(nc12)C(O)=O |
8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid |
| 17010 |  A1IU5 |
2 | C16 H19 N5 O3 | InChI=1S/C16H19N5O3/c22-1 5(19-12-4-7-17-8-5-12)6-9 -18-16(23)20-14-10-13(24- 21-14)11-2-1-3-11/h4-5,7- 8,10-11H,1-3,6,9H2,(H,17, 19,22)(H2,18,20,21,23); NMBXMVUGPDIKRX-UHFFFAOYSA-N |
c1cnccc1NC(=O)CCNC(=O)Nc2cc(on2)C3CCC3; O=C(CCNC(=O)Nc1cc(on1)C2CCC2)Nc3ccncc3 |
3-[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]-~{N}-pyridin-4-yl-propanamide |
| 17011 |  A1IU6 |
1 | C15 H16 F N3 O4 S | InChI=1S/C15H16FN3O4S/c16 -24(21,22)12-6-1-3-10(7-1 2)9-17-15(20)18-14-8-13(2 3-19-14)11-4-2-5-11/h1,3, 6-8,11H,2,4-5,9H2,(H2,17, 18,19,20); UCNLFXFYUCPVKR-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)F)CNC(=O)Nc2cc(on2)C 3CCC3; F[S](=O)(=O)c1cccc(CNC(=O)Nc2cc(o n2)C3CCC3)c1 |
3-[[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzenesulfonyl fluoride |
| 17012 |  A1IU7 |
1 | C16 H15 N3 O | InChI=1S/C16H15N3O/c1-2-1 5(20)19-14-6-4-3-5-13(14) 12-9-11-7-8-17-16(11)18-1 0-12/h3-10H,2H2,1H3,(H,17 ,18)(H,19,20); ZSLQYIORPJSVTD-UHFFFAOYSA-N |
CCC(=O)Nc1ccccc1c2cc3cc[nH]c3nc2; CCC(=O )Nc1ccccc1c2cnc3[nH]ccc3c2 |
~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide |
| 17013 |  A1IU9 |
1 | C28 H28 N4 O6 | InChI=1S/C28H28N4O6/c1-38 -25-12-9-19(15-30-25)18-7 -8-20-16-32(27(35)21(20)1 4-18)23(13-17-5-3-2-4-6-1 7)26(34)31-22(28(36)37)10 -11-24(29)33/h2-9,12,14-1 5,22-23H,10-11,13,16H2,1H 3,(H2,29,33)(H,31,34)(H,3 6,37)/t22-,23-/m0/s1; CGCOMGPOOJVYAL-GOTSBHOMSA-N |
COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)[C@@H]( Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)O; COc1ccc(cn1)c2ccc3CN([CH](Cc4ccccc4)C(=O )N[CH](CCC(N)=O)C(O)=O)C(=O)c3c2; COc1cc c(cn1)c2ccc3CN([C@@H](Cc4ccccc4)C(=O)N[C @@H](CCC(N)=O)C(O)=O)C(=O)c3c2; COc1ccc( cn1)c2ccc3c(c2)C(=O)N(C3)C(Cc4ccccc4)C(= O)NC(CCC(=O)N)C(=O)O |
((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine; (2~{S})-5-azanyl-2-[[(2~{S})-2-[5-(6-methoxypyridin-3-yl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid |
| 17014 |  A1IUA |
3 | C13 H20 O | InChI=1S/C13H20O/c1-5-7-1 1(14)12-10(2)8-6-9-13(12, 3)4/h5,7-8,12H,6,9H2,1-4H 3/b7-5+/t12-/m0/s1; CRIGTVCBMUKRSL-PZBABLGHSA-N |
CC=CC(=O)C1C(=CCCC1(C)C)C; CC=CC(=O)[CH] 1C(=CCCC1(C)C)C; C/C=C/C(=O)[C@@H]1C(=CC CC1(C)C)C; C/C=C/C(=O)C1C(=CCCC1(C)C)C |
alpha-damascone; (~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one |
| 17015 |  A1IUB |
5 | C13 H20 O | InChI=1S/C13H20O/c1-10-6- 5-9-13(3,4)12(10)8-7-11(2 )14/h6-8,12H,5,9H2,1-4H3/ b8-7+/t12-/m0/s1; UZFLPKAIBPNNCA-GUOLPTJISA-N |
CC1=CCCC(C1C=CC(=O)C)(C)C; CC1=CCCC(C1/C =C/C(=O)C)(C)C; CC(=O)C=C[CH]1C(=CCCC1(C )C)C; CC(=O)\C=C\[C@H]1C(=CCCC1(C)C)C |
alpha-ionone; (~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| 17016 |  A1IUC |
1 | C17 H14 O4 S | InChI=1S/C17H14O4S/c18-22 (19,20)17-11-10-16(14-8-4 -5-9-15(14)17)21-12-13-6- 2-1-3-7-13/h1-11H,12H2,(H ,18,19,20); ZYIBEMACOFTWFX-UHFFFAOYSA-N |
O[S](=O)(=O)c1ccc(OCc2ccccc2)c3ccccc13; c1ccc(cc1)COc2ccc(c3c2cccc3)S(=O)(=O)O |
4-phenylmethoxynaphthalene-1-sulfonic acid |
| 17017 |  A1IUE CHEMBL5311339 |
1 | C8 H12 Cl N3 O | InChI=1S/C8H12ClN3O/c1-6( 5-13)12(2)8-10-3-7(9)4-11 -8/h3-4,6,13H,5H2,1-2H3/t 6-/m0/s1; JDBRUTDKSYJSEU-LURJTMIESA-N |
C[C@@H](CO)N(C)c1ncc(cn1)Cl; C[C@@H](CO) N(C)c1ncc(Cl)cn1; C[CH](CO)N(C)c1ncc(Cl) cn1; CC(CO)N(C)c1ncc(cn1)Cl |
(2~{S})-2-[(5-chloranylpyrimidin-2-yl)-methyl-amino]propan-1-ol |
| 17018 |  A1IUG |
1 | C19 H24 N4 O3 S2 | InChI=1S/C19H24N4O3S2/c1- 19(2,25)17-21-10-15(27-17 )28(20,26)23-18(24)22-16- 13-7-3-5-11(13)9-12-6-4-8 -14(12)16/h9-10,25H,3-8H2 ,1-2H3,(H3,20,22,23,24,26 )/t28-/m1/s1; LHVWNNYPUDZLSH-MUUNZHRXSA-N |
CC(C)(O)c1sc(cn1)[S](N)(=O)=NC(=O)Nc2c3C CCc3cc4CCCc24; CC(C)(O)c1sc(cn1)[S@](N)( =O)=NC(=O)Nc2c3CCCc3cc4CCCc24; CC(C)(c1n cc(s1)[S@@](=NC(=O)Nc2c3c(cc4c2CCC4)CCC3 )(=O)N)O; CC(C)(c1ncc(s1)S(=NC(=O)Nc2c3c (cc4c2CCC4)CCC3)(=O)N)O |
1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea; DFV890 |
| 17019 |  A1IUH |
1 | C19 H22 N2 O2 | InChI=1S/C19H22N2O2/c1-10 -8-13(19(20)23)9-11(2)16( 10)18-14-6-4-5-7-15(22)17 (14)12(3)21-18/h8-9,21H,4 -7H2,1-3H3,(H2,20,23); KAKQTYYUIRHUNV-UHFFFAOYSA-N |
Cc1[nH]c(c2CCCCC(=O)c12)c3c(C)cc(cc3C)C( N)=O; Cc1cc(cc(c1c2c3c(c([nH]2)C)C(=O)CC CC3)C)C(=O)N |
3,5-dimethyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide |
| 17020 |  A1IUI |
1 | C18 H20 N4 O | InChI=1S/C18H20N4O/c1-2-1 5(12-19-9-1)23-14-5-3-13( 4-6-14)22-17-8-11-21-18-1 6(17)7-10-20-18/h3-8,10-1 1,15,19H,1-2,9,12H2,(H2,2 0,21,22)/t15-/m1/s1; IYFCFYWXRIVCTH-OAHLLOKOSA-N |
c1cc(ccc1Nc2ccnc3c2cc[nH]3)O[C@@H]4CCCNC 4; C1CNC[CH](C1)Oc2ccc(Nc3ccnc4[nH]ccc34 )cc2; C1CNC[C@@H](C1)Oc2ccc(Nc3ccnc4[nH] ccc34)cc2; c1cc(ccc1Nc2ccnc3c2cc[nH]3)OC 4CCCNC4 |
~{N}-[4-[(3~{R})-piperidin-3-yl]oxyphenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-amine |
| 17021 |  A1IUK |
2 | C23 H19 F4 N7 O | InChI=1S/C23H19F4N7O/c1-3 -21(35)32-9-18-19(10-32)3 3(20-4-5-28-11-29-20)22(3 1-18)14-6-13(16(24)7-17(1 4)25)15-8-30-34(12(15)2)2 3(26)27/h4-8,11,23H,3,9-1 0H2,1-2H3; CSKGLPHEWSYGAQ-UHFFFAOYSA-N |
CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4cnn (c4C)C(F)F)c5ccncn5)C1; CCC(=O)N1Cc2nc(n (c3ccncn3)c2C1)c4cc(c(F)cc4F)c5cnn(C(F)F )c5C |
1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| 17022 |  A1IUL |
4 | C29 H35 N5 O4 | InChI=1S/C29H35N5O4/c1-3- 19-8-10-20(11-9-19)27(37) 33-18-29(12-13-29)28(38)3 4-22(15-25(35)32-17-26(36 )30-2)14-21-16-31-24-7-5- 4-6-23(21)24/h4-11,16,22, 31H,3,12-15,17-18H2,1-2H3 ,(H,30,36)(H,32,35)(H,33, 37)(H,34,38)/t22-/m1/s1; HVVBCHJCCVHPJR-JOCHJYFZSA-N |
CCc1ccc(cc1)C(=O)NCC2(CC2)C(=O)N[C@H](Cc 3c[nH]c4c3cccc4)CC(=O)NCC(=O)NC; CCc1ccc (cc1)C(=O)NCC2(CC2)C(=O)N[CH](CC(=O)NCC( =O)NC)Cc3c[nH]c4ccccc34; CCc1ccc(cc1)C(= O)NCC2(CC2)C(=O)N[C@@H](CC(=O)NCC(=O)NC) Cc3c[nH]c4ccccc34; CCc1ccc(cc1)C(=O)NCC2 (CC2)C(=O)NC(Cc3c[nH]c4c3cccc4)CC(=O)NCC (=O)NC |
4-ethyl-~{N}-[[1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butan-2-yl]carbamoyl]cyclopropyl]methyl]benzamide |
| 17023 |  A1IUM |
2 | C33 H39 N5 O6 | InChI=1S/C33H39N5O6/c1-44 -27-12-6-11-24-23(27)16-2 6(36-24)33(43)38-18-21-9- 5-10-22(21)28(38)31(41)37 -25(15-20-13-14-34-30(20) 40)29(39)32(42)35-17-19-7 -3-2-4-8-19/h2-4,6-8,11-1 2,16,20-22,25,28-29,36,39 H,5,9-10,13-15,17-18H2,1H 3,(H,34,40)(H,35,42)(H,37 ,41)/t20-,21-,22-,25-,28- ,29+/m0/s1; SRQDXOQIFPGVGN-FQVIVOBNSA-N |
COc1cccc2[nH]c(cc12)C(=O)N3C[CH]4CCC[CH] 4[CH]3C(=O)N[CH](C[CH]5CCNC5=O)[CH](O)C( =O)NCc6ccccc6; COc1cccc2c1cc([nH]2)C(=O) N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C [C@@H]5CCNC5=O)[C@H](C(=O)NCc6ccccc6)O; COc1cccc2c1cc([nH]2)C(=O)N3CC4CCCC4C3C(= O)NC(CC5CCNC5=O)C(C(=O)NCc6ccccc6)O; COc 1cccc2[nH]c(cc12)C(=O)N3C[C@@H]4CCC[C@@H ]4[C@H]3C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@ @H](O)C(=O)NCc6ccccc6 |
(3~{S},3~{a}~{S},6~{a}~{R})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
| 17024 |  A1IUN |
1 | C25 H34 Cl F2 N5 O4 | InChI=1S/C25H34ClF2N5O4/c 1-24(2,3)19(32-23(37)25(2 6,27)28)22(36)33-11-16-12 -4-5-13(8-12)17(16)18(33) 21(35)31-15(10-29)9-14-6- 7-30-20(14)34/h4-5,10,12- 19,29H,6-9,11H2,1-3H3,(H, 30,34)(H,31,35)(H,32,37)/ b29-10+/t12-,13+,14+,15+, 16-,17+,18+,19-/m1/s1; FMUZFQXQNKZKNT-GFMFKEFUSA-N |
CC(C)(C)C(C(=O)N1CC2C3CC(C2C1C(=O)NC(CC4 CCNC4=O)C=N)C=C3)NC(=O)C(F)(F)Cl; CC(C)( C)[CH](NC(=O)C(F)(F)Cl)C(=O)N1C[CH]2[CH] 3C[CH](C=C3)[CH]2[CH]1C(=O)N[CH](C[CH]4C CNC4=O)C=N; CC(C)(C)[C@H](NC(=O)C(F)(F)C l)C(=O)N1C[C@@H]2[C@H]3C[C@H](C=C3)[C@@H ]2[C@H]1C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=N ; [H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C @@H]2[C@H]3[C@@H]4C[C@H]([C@H]3CN2C(=O)[ C@H](C(C)(C)C)NC(=O)C(F)(F)Cl)C=C4 |
(1~{S},2~{S},3~{S},6~{R},7~{R})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-4-[(2~{S})-2-[[2-chloranyl-2,2-bis(fluoranyl)ethanoyl]amino]-3,3-dimethyl-butanoyl]-4-azatricyclo[5.2.1.0^{2,6}]decane-3-carboxamide |
| 17025 |  A1IUO |
0 | C18 H19 N O3 | InChI=1S/C18H19NO3/c1-11( 18(20)21)22-17-7-6-14(10- 16(17)19)15-8-12-4-2-3-5- 13(12)9-15/h2-7,10-11,15H ,8-9,19H2,1H3,(H,20,21)/t 11-/m0/s1; JSGSRZGPCZZYRF-NSHDSACASA-N |
C[CH](Oc1ccc(cc1N)C2Cc3ccccc3C2)C(O)=O; C[C@H](Oc1ccc(cc1N)C2Cc3ccccc3C2)C(O)=O; CC(C(=O)O)Oc1ccc(cc1N)C2Cc3ccccc3C2; C[ C@@H](C(=O)O)Oc1ccc(cc1N)C2Cc3ccccc3C2 |
(2~{S})-2-[2-azanyl-4-(2,3-dihydro-1~{H}-inden-2-yl)phenoxy]propanoic acid |
| 17026 |  A1IUP |
0 | C19 H23 N3 O6 S | InChI=1S/C19H23N3O6S/c20- 29(26,27)17-8-6-15(7-9-17 )18(23)22-13-14-4-3-5-16( 12-14)28-11-2-1-10-21-19( 24)25/h3-9,12,21H,1-2,10- 11,13H2,(H,22,23)(H,24,25 )(H2,20,26,27); LVXQRZQAEPNXST-UHFFFAOYSA-N |
c1cc(cc(c1)OCCCCNC(=O)O)CNC(=O)c2ccc(cc2 )S(=O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O) NCc2cccc(OCCCCNC(O)=O)c2 |
4-[3-[[(4-sulfamoylphenyl)carbonylamino]methyl]phenoxy]butylcarbamic acid |
| 17027 |  A1IUQ |
1 | C29 H51 N O12 | InChI=1S/C29H51NO12/c1-15 -21(32)23(34)24(35)28(38- 15)40-17-11-7-8-12-18(17) 41-29-25(36)26(22(33)20(1 4-31)42-29)39-19(27(37)30 (2)3)13-16-9-5-4-6-10-16/ h15-26,28-29,31-36H,4-14H 2,1-3H3/t15-,17+,18+,19-, 20+,21+,22-,23+,24-,25+,2 6-,28-,29+/m0/s1; GILCKMMEJGYRDK-LXSONSOPSA-N |
C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H ]3O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC4CCC CC4)C(=O)N(C)C)[C@H]3O)[C@@H](O)[C@H](O) [C@@H]1O; CC1C(C(C(C(O1)OC2CCCCC2OC3C(C( C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)N(C)C)O)O) O)O; C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[ CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O) N(C)C)[CH]3O)[CH](O)[CH](O)[CH]1O; C[C@H ]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2C CCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H] (O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)N(C)C)O) O)O)O |
(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide |
| 17028 |  A1IUR |
1 | C31 H53 N O12 | InChI=1S/C31H53NO12/c1-17 -23(34)25(36)26(37)30(40- 17)42-19-11-5-6-12-20(19) 43-31-27(38)28(24(35)22(1 6-33)44-31)41-21(15-18-9- 3-2-4-10-18)29(39)32-13-7 -8-14-32/h17-28,30-31,33- 38H,2-16H2,1H3/t17-,19+,2 0+,21-,22+,23+,24-,25+,26 -,27+,28-,30-,31+/m0/s1; FKNYCAPWLCCZEJ-DLZFMQBYSA-N |
CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO) O)OC(CC4CCCCC4)C(=O)N5CCCC5)O)O)O)O; C[C H]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[ CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N5CCCC5) [CH]3O)[CH](O)[CH](O)[CH]1O; C[C@@H]1O[C @@H](O[C@@H]2CCCC[C@H]2O[C@@H]3O[C@H](CO )[C@H](O)[C@H](O[C@@H](CC4CCCCC4)C(=O)N5 CCCC5)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]1O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C @@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H] ([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)N5 CCCC5)O)O)O)O |
(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one |
| 17029 |  A1IUS |
1 | C30 H51 N O12 | InChI=1S/C30H51NO12/c1-16 -22(33)24(35)25(36)29(39- 16)41-18-10-5-6-11-19(18) 42-30-26(37)27(23(34)21(1 5-32)43-30)40-20(28(38)31 -12-7-13-31)14-17-8-3-2-4 -9-17/h16-27,29-30,32-37H ,2-15H2,1H3/t16-,18+,19+, 20-,21+,22+,23-,24+,25-,2 6+,27-,29-,30+/m0/s1; UUFNJILXNYOMPY-MHBUKUEVSA-N |
CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO) O)OC(CC4CCCCC4)C(=O)N5CCC5)O)O)O)O; C[C@ @H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]3O[ C@H](CO)[C@H](O)[C@H](O[C@@H](CC4CCCCC4) C(=O)N5CCC5)[C@H]3O)[C@@H](O)[C@H](O)[C@ @H]1O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H]( O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H] ([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C (=O)N5CCC5)O)O)O)O; C[CH]1O[CH](O[CH]2CC CC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH]( CC4CCCCC4)C(=O)N5CCC5)[CH]3O)[CH](O)[CH] (O)[CH]1O |
(2~{S})-1-(azetidin-1-yl)-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one |
| 17030 |  A1IUT |
1 | C35 H59 N O12 | InChI=1S/C35H59NO12/c1-20 -26(38)28(40)29(41)33(44- 20)46-22-12-6-7-13-23(22) 47-34-30(42)31(27(39)25(1 7-37)48-34)45-24(16-21-10 -4-2-5-11-21)32(43)36-18- 35(19-36)14-8-3-9-15-35/h 20-31,33-34,37-42H,2-19H2 ,1H3/t20-,22+,23+,24-,25+ ,26+,27-,28+,29-,30+,31-, 33-,34+/m0/s1; GSVYJBHYBLIROI-VKQWMFFWSA-N |
CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO) O)OC(CC4CCCCC4)C(=O)N5CC6(C5)CCCCC6)O)O) O)O; C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O [C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H](C C4CCCCC4)C(=O)N5CC6(CCCCC6)C5)[C@H]3O)[C @@H](O)[C@H](O)[C@@H]1O; C[C@H]1[C@H]([C @H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O [C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O [C@@H](CC4CCCCC4)C(=O)N5CC6(C5)CCCCC6)O) O)O)O; C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3 O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(= O)N5CC6(CCCCC6)C5)[CH]3O)[CH](O)[CH](O)[ CH]1O |
(2~{S})-1-(2-azaspiro[3.5]nonan-2-yl)-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one |
| 17031 |  A1IUU |
1 | C32 H55 N O12 | InChI=1S/C32H55NO12/c1-3- 18-14-33(15-18)30(40)22(1 3-19-9-5-4-6-10-19)42-29- 25(36)23(16-34)45-32(28(2 9)39)44-21-12-8-7-11-20(2 1)43-31-27(38)26(37)24(35 )17(2)41-31/h17-29,31-32, 34-39H,3-16H2,1-2H3/t17-, 20+,21+,22-,23+,24+,25-,2 6+,27-,28+,29-,31-,32+/m0 /s1; IKXUBGPKUZRQDK-LVVJVTIPSA-N |
CCC1CN(C1)C(=O)[C@H](CC2CCCCC2)O[C@H]3[C @H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4CCCC[C @H]4O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5 )C)O)O)O)CO)O; CCC1CN(C1)C(=O)C(CC2CCCCC 2)OC3C(C(OC(C3O)OC4CCCCC4OC5C(C(C(C(O5)C )O)O)O)CO)O; CCC1CN(C1)C(=O)[CH](CC2CCCC C2)O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4CCCC [CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O) [CH]3O; CCC1CN(C1)C(=O)[C@H](CC2CCCCC2)O [C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H] 4CCCC[C@H]4O[C@@H]5O[C@@H](C)[C@@H](O)[C @@H](O)[C@@H]5O)[C@@H]3O |
(2~{S})-3-cyclohexyl-1-(3-ethylazetidin-1-yl)-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one |
| 17032 |  A1IUV CHEMBL488755 |
2 | C20 H19 N3 O2 | InChI=1S/C20H19N3O2/c1-23 (2)10-9-21-20-18-17(13-5- 3-4-6-14(13)19(18)25)15-8 -7-12(24)11-16(15)22-20/h 3-8,11,24H,9-10H2,1-2H3,( H,21,22); ROWSTIYZUWEOMM-UHFFFAOYSA-N |
CN(C)CCNc1c2c(c3ccc(cc3n1)O)-c4ccccc4C2= O; CN(C)CCNc1nc2cc(O)ccc2c3c4ccccc4C(=O) c13 |
6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one |
| 17033 |  A1IUW |
2 | C18 H20 N2 O2 | InChI=1S/C18H20N2O2/c1-10 -9-12(18(19)22)7-8-13(10) 17-14-5-3-4-6-15(21)16(14 )11(2)20-17/h7-9,20H,3-6H 2,1-2H3,(H2,19,22); ATVBLDDCYXMXQS-UHFFFAOYSA-N |
Cc1cc(ccc1c2c3c(c([nH]2)C)C(=O)CCCC3)C(= O)N; Cc1[nH]c(c2CCCCC(=O)c12)c3ccc(cc3C) C(N)=O |
3-methyl-4-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)benzamide |
| 17034 |  A1IUX |
1 | C17 H16 F3 N O | InChI=1S/C17H16F3NO/c1-10 -15-12(7-3-5-9-14(15)22)1 6(21-10)11-6-2-4-8-13(11) 17(18,19)20/h2,4,6,8,21H, 3,5,7,9H2,1H3; RTQUECLFUBABIL-UHFFFAOYSA-N |
Cc1c2c(c([nH]1)c3ccccc3C(F)(F)F)CCCCC2=O ; Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C(F)(F )F |
3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
| 17035 |  A1IUY |
1 | C18 H22 N2 O3 S | InChI=1S/C18H22N2O3S/c1-1 1-13(8-6-9-15(11)20-24(3, 22)23)18-14-7-4-5-10-16(2 1)17(14)12(2)19-18/h6,8-9 ,19-20H,4-5,7,10H2,1-3H3; VUJHBAXRQCRYLD-UHFFFAOYSA-N |
Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N[S](C)(= O)=O)c3C; Cc1c(cccc1NS(=O)(=O)C)c2c3c(c( [nH]2)C)C(=O)CCCC3 |
~{N}-[2-methyl-3-(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-1-yl)phenyl]methanesulfonamide |
| 17036 |  A1IUZ |
1 | C17 H19 N O | InChI=1S/C17H19NO/c1-11-7 -3-4-8-13(11)17-14-9-5-6- 10-15(19)16(14)12(2)18-17 /h3-4,7-8,18H,5-6,9-10H2, 1-2H3; IZDRTTVDHAXLMR-UHFFFAOYSA-N |
Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C; Cc1cc ccc1c2c3c(c([nH]2)C)C(=O)CCCC3 |
3-methyl-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
| 17037 |  A1IV0 |
4 | C24 H26 Cl F N4 O4 S2 | InChI=1S/C24H26ClFN4O4S2/ c1-28(2)36(33,34)20-10-8- 19(9-11-20)35(31,32)27-22 -5-3-4-6-24(22)30-15-13-2 9(14-16-30)23-12-7-18(25) 17-21(23)26/h3-12,17,27H, 13-16H2,1-2H3; YAZGOSKDIGLBNA-UHFFFAOYSA-N |
CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2 ccccc2N3CCN(CC3)c4ccc(Cl)cc4F; CN(C)S(=O )(=O)c1ccc(cc1)S(=O)(=O)Nc2ccccc2N3CCN(C C3)c4ccc(cc4F)Cl |
N4-[2-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]phenyl]-N1,N1-dimethyl-benzene-1,4-disulfonamide |
| 17038 |  A1IV1 |
8 | C28 H31 Cl F N3 O4 S2 | InChI=1S/C28H31ClFN3O4S2/ c1-28(20-14-16-32(17-15-2 0)27-13-8-21(29)18-25(27) 30)19-33(26-7-5-4-6-24(26 )28)39(36,37)23-11-9-22(1 0-12-23)38(34,35)31(2)3/h 4-13,18,20H,14-17,19H2,1- 3H3/t28-/m1/s1; JFSNLYLCRUYJAP-MUUNZHRXSA-N |
CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)N2C [C](C)(C3CCN(CC3)c4ccc(Cl)cc4F)c5ccccc25 ; CC1(CN(c2c1cccc2)S(=O)(=O)c3ccc(cc3)S( =O)(=O)N(C)C)C4CCN(CC4)c5ccc(cc5F)Cl; CN (C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)N2C[C @](C)(C3CCN(CC3)c4ccc(Cl)cc4F)c5ccccc25; C[C@@]1(CN(c2c1cccc2)S(=O)(=O)c3ccc(cc3 )S(=O)(=O)N(C)C)C4CCN(CC4)c5ccc(cc5F)Cl |
4-[[(3R)-3-[1-(4-chloranyl-2-fluoranyl-phenyl)piperidin-4-yl]-3-methyl-2H-indol-1-yl]sulfonyl]-N,N-dimethyl-benzenesulfonamide |
| 17039 |  A1IV2 CHEMBL73711 |
8 | C23 H24 Cl2 N2 O3 | InChI=1S/C23H24Cl2N2O3/c1 -15-17(8-9-26-10-12-30-13 -11-26)19-14-16(29-2)6-7- 21(19)27(15)23(28)18-4-3- 5-20(24)22(18)25/h3-7,14H ,8-13H2,1-2H3; FSFZRNZSZYDVLI-UHFFFAOYSA-N |
Cc1c(c2cc(ccc2n1C(=O)c3cccc(c3Cl)Cl)OC)C CN4CCOCC4; COc1ccc2n(c(C)c(CCN3CCOCC3)c2 c1)C(=O)c4cccc(Cl)c4Cl |
[2,3-bis(chloranyl)phenyl]-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone |
| 17040 |  A1IV3 CHEMBL4851704 |
16 | C23 H31 N3 O3 S | InChI=1S/C23H31N3O3S/c1-2 9-23-14-8-7-13-22(23)26-1 7-15-25(16-18-26)21-12-6- 5-11-20(21)24-30(27,28)19 -9-3-2-4-10-19/h2-4,7-10, 13-14,20-21,24H,5-6,11-12 ,15-18H2,1H3/t20-,21-/m1/ s1; OVTXOMMQHRIKGL-NHCUHLMSSA-N |
COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4 ccccc4; COc1ccccc1N2CCN(CC2)[CH]3CCCC[CH ]3N[S](=O)(=O)c4ccccc4; COc1ccccc1N2CCN( CC2)[C@@H]3CCCC[C@H]3NS(=O)(=O)c4ccccc4; COc1ccccc1N2CCN(CC2)[C@@H]3CCCC[C@H]3N[ S](=O)(=O)c4ccccc4 |
N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide |
| 17041 |  A1IV4 CHEMBL4875551 |
8 | C23 H25 N3 O3 S | InChI=1S/C23H25N3O3S/c1-2 9-23-14-8-7-13-22(23)26-1 7-15-25(16-18-26)21-12-6- 5-11-20(21)24-30(27,28)19 -9-3-2-4-10-19/h2-14,24H, 15-18H2,1H3; DJQHXEVUPWVZGD-UHFFFAOYSA-N |
COc1ccccc1N2CCN(CC2)c3ccccc3NS(=O)(=O)c4 ccccc4; COc1ccccc1N2CCN(CC2)c3ccccc3N[S] (=O)(=O)c4ccccc4 |
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]benzenesulfonamide |
| 17042 |  A1IV5 CHEMBL116468 |
8 | C19 H26 O2 | InChI=1S/C19H26O2/c1-19-1 0-9-15-14-6-4-13(21-2)11- 12(14)3-5-16(15)17(19)7-8 -18(19)20/h4,6,11,15-18,2 0H,3,5,7-10H2,1-2H3/t15-, 16-,17+,18+,19+/m1/s1; ULAADVBNYHGIBP-GFEQUFNTSA-N |
CC12CCC3c4ccc(cc4CCC3C1CCC2O)OC; COc1ccc 2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H] 3CCc2c1; COc1ccc2[CH]3CC[C]4(C)[CH](O)CC [CH]4[CH]3CCc2c1; C[C@]12CC[C@@H]3c4ccc( cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OC |
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol |
| 17043 |  A1IV6 |
5 | C20 H26 O2 | InChI=1S/C20H26O2/c1-12(2 1)13-3-5-15-14(11-13)4-6- 17-16(15)9-10-20(2)18(17) 7-8-19(20)22/h3,5,11,16-1 9,22H,4,6-10H2,1-2H3/t16- ,17-,18+,19+,20+/m1/s1; LURXOLBKAUTYIC-SLHNCBLASA-N |
CC(=O)c1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4 ([C@H]3CC[C@@H]4O)C; CC(=O)c1ccc2[C@H]3C C[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1; CC(=O)c1ccc2c(c1)CCC3C2CCC4(C3CCC4O)C; CC(=O)c1ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4 [CH]3CCc2c1 |
1-[(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone |
| 17044 |  A1IV7 |
1 | C13 H16 N2 | InChI=1S/C13H16N2/c1-2-4- 13-11(3-1)7-10-15(13)12-5 -8-14-9-6-12/h1-4,7,10,12 ,14H,5-6,8-9H2; RQEDXUKWSYJDPG-UHFFFAOYSA-N |
c1ccc2c(c1)ccn2C3CCNCC3; C1CC(CCN1)n2ccc 3ccccc23 |
1-piperidin-4-ylindole |
| 17045 |  A1IV8 |
2 | C21 H20 Cl F N2 O3 | InChI=1S/C21H20ClFN2O3/c1 -21(2,20(27)24-14-8-6-7-1 3(22)11-14)25-12-17(28-3) 18(19(25)26)15-9-4-5-10-1 6(15)23/h4-11H,12H2,1-3H3 ,(H,24,27); NSSJIPGWTMBBIM-UHFFFAOYSA-N |
CC(C)(C(=O)Nc1cccc(c1)Cl)N2CC(=C(C2=O)c3 ccccc3F)OC; COC1=C(C(=O)N(C1)C(C)(C)C(=O )Nc2cccc(Cl)c2)c3ccccc3F |
~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide |
| 17046 |  A1IVA |
3 | C17 H25 N5 O17 P3 | InChI=1S/C17H25N5O17P3/c1 8-15-6-16(20-2-19-15)22(3 -21-6)17-13(29)7(23)5(37- 17)1-36-42(34,35)39-41(32 ,33)4-40(30,31)38-14-11(2 7)9(25)8(24)10(26)12(14)2 8/h2-3,5,7-14,17,23-29H,1 ,4H2,(H2,18,19,20); SXKKMVQPOLWBJB-UHFFFAOYSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(=O) OP(=O)(=O)CP(=O)(=O)OC4C(C(C(C(C4O)O)O)O )O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H]( CO[P](=O)(=O)O[P](=O)(=O)C[P](=O)(=O)O[C @@H]4[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O) [C@H]4O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n( cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O) (=O)OP(=O)(=O)CP(=O)(=O)OC4[C@@H]([C@H]( C([C@@H]([C@@H]4O)O)O)O)O)O)O)N; Nc1ncnc 2n(cnc12)[CH]3O[CH](CO[P](=O)(=O)O[P](=O )(=O)C[P](=O)(=O)O[CH]4[CH](O)[CH](O)[CH ](O)[CH](O)[CH]4O)[CH](O)[CH]3O |
(1~{S},2~{S},4~{S},5~{R})-6-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]methyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxycyclohexane-1,2,3,4,5-pentol |
| 17047 |  A1IVB CHEMBL4750781 |
1 | C14 H22 N5 O7 P S | InChI=1S/C14H22N5O7PS/c1- 2-3-4-28-14-18-8-11(15)16 -6-17-12(8)19(14)13-10(21 )9(20)7(26-13)5-25-27(22, 23)24/h6-7,9-10,13,20-21H ,2-5H2,1H3,(H2,15,16,17)( H2,22,23,24)/t7-,9-,10-,1 3-/m1/s1; VFLYSLPYKLFYSL-QYVSTXNMSA-N |
CCCCSc1nc2c(ncnc2n1C3C(C(C(O3)COP(=O)(O) O)O)O)N; CCCCSc1nc2c(N)ncnc2n1[CH]3O[CH] (CO[P](O)(O)=O)[CH](O)[CH]3O; CCCCSc1nc2 c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO P(=O)(O)O)O)O)N; CCCCSc1nc2c(N)ncnc2n1[C @@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] 3O |
[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 17048 |  A1IVC CHEMBL5419801 |
8 | C19 H24 Cl N3 O4 S2 | InChI=1S/C19H24ClN3O4S2/c 1-22(2)29(26,27)16-11-9-1 5(10-12-16)28(24,25)21-18 -8-6-7-17(20)19(18)23-13- 4-3-5-14-23/h6-12,21H,3-5 ,13-14H2,1-2H3; YPPWKTIVYUTTEH-UHFFFAOYSA-N |
CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2 cccc(Cl)c2N3CCCCC3; CN(C)S(=O)(=O)c1ccc( cc1)S(=O)(=O)Nc2cccc(c2N3CCCCC3)Cl |
N4-(3-chloranyl-2-piperidin-1-yl-phenyl)-N1,N1-dimethyl-benzene-1,4-disulfonamide |
| 17049 |  A1IVD |
8 | C22 H26 F3 N3 O4 S2 | InChI=1S/C22H26F3N3O4S2/c 1-26(2)33(29,30)17-7-9-18 (10-8-17)34(31,32)28-15-2 1(19-5-3-4-6-20(19)28)11- 13-27(14-12-21)16-22(23,2 4)25/h3-10H,11-16H2,1-2H3; OUXVDEHHRJIYFH-UHFFFAOYSA-N |
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CC3(C CN(CC3)CC(F)(F)F)c4c2cccc4; CN(C)[S](=O) (=O)c1ccc(cc1)[S](=O)(=O)N2CC3(CCN(CC3)C C(F)(F)F)c4ccccc24 |
N,N-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide |
| 17050 |  A1IVH |
4 | C19 H26 Cl N5 O6 P2 | InChI=1S/C19H26ClN5O6P2/c 1-24(12-15-8-4-2-5-9-15)1 7-16-18(23-19(20)22-17)25 (13-21-16)10-6-3-7-11-31- 33(29,30)14-32(26,27)28/h 2,4-5,8-9,13H,3,6-7,10-12 ,14H2,1H3,(H,29,30)(H2,26 ,27,28); OLMZSRUZLJBCCU-UHFFFAOYSA-N |
CN(Cc1ccccc1)c2nc(Cl)nc3n(CCCCCO[P](O)(= O)C[P](O)(O)=O)cnc23; CN(Cc1ccccc1)c2c3c (nc(n2)Cl)n(cn3)CCCCCOP(=O)(CP(=O)(O)O)O |
[5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]pentoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 17051 |  A1IVJ CHEMBL219916 DB01184 |
1 | C22 H24 Cl N5 O2 | InChI=1S/C22H24ClN5O2/c23 -15-6-7-20-18(14-15)25-22 (30)28(20)16-8-12-26(13-9 -16)10-3-11-27-19-5-2-1-4 -17(19)24-21(27)29/h1-2,4 -7,14,16H,3,8-13H2,(H,24, 29)(H,25,30); FGXWKSZFVQUSTL-UHFFFAOYSA-N |
c1ccc2c(c1)NC(=O)N2CCCN3CCC(CC3)N4c5ccc( cc5NC4=O)Cl; Clc1ccc2N(C3CCN(CCCN4C(=O)N c5ccccc45)CC3)C(=O)Nc2c1 |
Domperidone; 6-chloranyl-3-[1-[3-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)propyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one |
| 17052 |  A1IVK |
2 | C23 H28 Br Cl N4 O2 | InChI=1S/C23H28BrClN4O2/c 1-3-16-10-19(24)7-6-17(16 )14-28-8-5-9-29(21(15-28) 22(30)27-4-2)23(31)18-11- 20(25)13-26-12-18/h6-7,10 -13,21H,3-5,8-9,14-15H2,1 -2H3,(H,27,30)/t21-/m1/s1; YIKIBEUOQMFPOE-OAQYLSRUSA-N |
CCc1cc(ccc1CN2CCCN(C(C2)C(=O)NCC)C(=O)c3 cc(cnc3)Cl)Br; CCc1cc(ccc1CN2CCCN([C@H]( C2)C(=O)NCC)C(=O)c3cc(cnc3)Cl)Br; CCNC(= O)[CH]1CN(CCCN1C(=O)c2cncc(Cl)c2)Cc3ccc( Br)cc3CC; CCNC(=O)[C@H]1CN(CCCN1C(=O)c2c ncc(Cl)c2)Cc3ccc(Br)cc3CC |
(2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide |
| 17053 |  A1IVL CHEMBL76370 DB01079 |
1 | C16 H23 N5 O | InChI=1S/C16H23N5O/c1-3-4 -5-8-18-16(17)21-20-11-12 -10-19-15-7-6-13(22-2)9-1 4(12)15/h6-7,9-11,19H,3-5 ,8H2,1-2H3,(H3,17,18,21)/ b20-11+; IKBKZGMPCYNSLU-RGVLZGJSSA-N |
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12; [ H]/N=C(/NCCCCC)\N/N=C/c1c[nH]c2c1cc(cc2) OC; CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12; CCCCCNC(=N)NN=Cc1c[nH]c2c1cc(cc2)OC |
Tegaserod; 1-[(~{E})-(5-methoxy-1~{H}-indol-3-yl)methylideneamino]-3-pentyl-guanidine |
| 17054 |  A1IVO |
10 | C35 H70 N O8 P | InChI=1S/C35H70NO8P/c1-3- 5-7-9-11-13-14-15-16-17-1 8-20-22-24-26-28-35(38)44 -33(32-43-45(39,40)42-30- 29-36)31-41-34(37)27-25-2 3-21-19-12-10-8-6-4-2/h33 H,3-32,36H2,1-2H3,(H,39,4 0)/t33-/m1/s1; VRAIAMCAVVEICN-MGBGTMOVSA-N |
CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCC CCCCCC)CO[P](O)(=O)OCCN; CCCCCCCCCCCCCCC CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P](O )(=O)OCCN; CCCCCCCCCCCCCCCCCC(=O)O[C@H]( COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN; CCCCC CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)C OP(=O)(O)OCCN |
[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-dodecanoyloxy-propan-2-yl] octadecanoate |
| 17055 |  A1IVP |
4 | C6 H12 O5 | InChI=1S/C6H12O5/c7-1-3-5 (9)6(10)4(2-8)11-3/h3-10H ,1-2H2/t3-,4-,5-,6-/m1/s1; MCHWWJLLPNDHGL-KVTDHHQDSA-N |
OC[CH]1O[CH](CO)[CH](O)[CH]1O; OC[C@H]1O [C@H](CO)[C@@H](O)[C@@H]1O; C(C1C(C(C(O1 )CO)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H](O 1)CO)O)O)O |
2.5-anhydro-D-mannitol; (2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
| 17056 |  A1IVQ |
2 | C27 H35 N3 O4 S | InChI=1S/C27H35N3O4S/c1-2 0(2)17-21-7-9-23(10-8-21) 35(32,33)29-13-16-30-14-1 1-22(12-15-30)19-34-27(31 )25-18-28-26-6-4-3-5-24(2 5)26/h3-10,18,20,22,28-29 H,11-17,19H2,1-2H3; FLRZZCCPQCKZJL-UHFFFAOYSA-N |
CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)CO C(=O)c3c[nH]c4c3cccc4; CC(C)Cc1ccc(cc1)[ S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c cccc34 |
[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate |
| 17057 |  A1IVR |
3 | C10 H9 Cl N2 O | InChI=1S/C10H9ClN2O/c11-7 -1-2-9-8(4-7)6(5-13-9)3-1 0(12)14/h1-2,4-5,13H,3H2, (H2,12,14); AEASRZZLNXUGPD-UHFFFAOYSA-N |
c1cc2c(cc1Cl)c(c[nH]2)CC(=O)N; NC(=O)Cc1 c[nH]c2ccc(Cl)cc12 |
2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide |
| 17058 |  A1IVS |
3 | C8 H5 F2 N | InChI=1S/C8H5F2N/c9-6-3-5 -1-2-11-8(5)7(10)4-6/h1-4 ,11H; WZPOGQRJXZGSMH-UHFFFAOYSA-N |
c1c[nH]c2c1cc(cc2F)F; Fc1cc(F)c2[nH]ccc2 c1 |
5,7-bis(fluoranyl)-1~{H}-indole |
| 17059 |  A1IVT CHEMBL85570 |
4 | C10 H8 Cl N O2 | InChI=1S/C10H8ClNO2/c11-7 -1-2-8-6(3-10(13)14)5-12- 9(8)4-7/h1-2,4-5,12H,3H2, (H,13,14); KKJVTNQWFSAWSK-UHFFFAOYSA-N |
c1cc2c(cc1Cl)[nH]cc2CC(=O)O; OC(=O)Cc1c[ nH]c2cc(Cl)ccc12 |
2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid |
| 17060 |  A1IVU |
1 | C11 H8 Cl2 N2 | InChI=1S/C11H8Cl2N2/c12-1 0-2-1-9(7-11(10)13)15-8-3 -5-14-6-4-8/h1-7H,(H,14,1 5); PIOXIDGULSGPDO-UHFFFAOYSA-N |
Clc1ccc(Nc2ccncc2)cc1Cl; c1cc(c(cc1Nc2cc ncc2)Cl)Cl |
~{N}-(3,4-dichlorophenyl)pyridin-4-amine |
| 17061 |  A1IVV |
4 | C16 H27 N3 O5 | InChI=1S/C16H27N3O5/c1-5- 10(6-2)24-15-13(18-8(3)20 )11(16(22)23)7-12(17)14(1 5)19-9(4)21/h7,10,12-15H, 5-6,17H2,1-4H3,(H,18,20)( H,19,21)(H,22,23)/t12-,13 +,14+,15+/m0/s1; DQMSSUUCAPUMMT-GBJTYRQASA-N |
CCC(CC)O[C@H]1[C@@H]([C@H](C=C([C@H]1NC( =O)C)C(=O)O)N)NC(=O)C; CCC(CC)OC1C(C(C=C (C1NC(=O)C)C(=O)O)N)NC(=O)C; CCC(CC)O[CH ]1[CH](NC(C)=O)[CH](N)C=C([CH]1NC(C)=O)C (O)=O; CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H ](N)C=C([C@H]1NC(C)=O)C(O)=O |
(3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid; (3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| 17062 |  A1IVW |
4 | C19 H29 N3 O5 | InChI=1S/C19H29N3O5/c1-5- 8-9-15(24)22-16-13(19(25) 26)10-14(20)17(21-11(4)23 )18(16)27-12(6-2)7-3/h1,1 0,12,14,16-18H,6-9,20H2,2 -4H3,(H,21,23)(H,22,24)(H ,25,26)/t14-,16+,17+,18+/ m0/s1; UQWNKPYYRBJNEV-DZOHQFGASA-N |
CCC(CC)O[CH]1[CH](NC(C)=O)[CH](N)C=C([CH ]1NC(=O)CCC#C)C(O)=O; CCC(CC)O[C@H]1[C@H ](NC(C)=O)[C@@H](N)C=C([C@H]1NC(=O)CCC#C )C(O)=O; CCC(CC)OC1C(C(C=C(C1NC(=O)CCC#C )C(=O)O)N)NC(=O)C; CCC(CC)O[C@H]1[C@@H]( [C@H](C=C([C@H]1NC(=O)CCC#C)C(=O)O)N)NC( =O)C |
(3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-5-pentan-3-yloxy-6-(pent-4-ynoylamino)cyclohexene-1-carboxylic acid |
| 17063 |  A1IVX |
4 | C18 H31 N3 O5 | InChI=1S/C18H31N3O5/c1-5- 8-14(23)21-15-12(18(24)25 )9-13(19)16(20-10(4)22)17 (15)26-11(6-2)7-3/h9,11,1 3,15-17H,5-8,19H2,1-4H3,( H,20,22)(H,21,23)(H,24,25 )/t13-,15+,16+,17+/m0/s1; ZAHHUKWVCWBVLE-RKTXRCNFSA-N |
CCCC(=O)NC1C(C(C(C=C1C(=O)O)N)NC(=O)C)OC (CC)CC; CCCC(=O)N[C@H]1[C@@H](OC(CC)CC)[ C@H](NC(C)=O)[C@@H](N)C=C1C(O)=O; CCCC(= O)N[CH]1[CH](OC(CC)CC)[CH](NC(C)=O)[CH]( N)C=C1C(O)=O; CCCC(=O)N[C@H]1[C@H]([C@@H ]([C@H](C=C1C(=O)O)N)NC(=O)C)OC(CC)CC |
(3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-6-(butanoylamino)-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| 17064 |  A1IVZ |
4 | C22 H22 N2 O3 | InChI=1S/C22H22N2O3/c1-14 -12-22(2,3)24(18-11-7-6-8 -15(14)18)19(25)13-23-20( 26)16-9-4-5-10-17(16)21(2 3)27/h4-11,14H,12-13H2,1- 3H3/t14-/m1/s1; KDDHBJICVBONAX-CQSZACIVSA-N |
CC1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C 3=O)(C)C; C[C@@H]1CC(N(c2c1cccc2)C(=O)CN 3C(=O)c4ccccc4C3=O)(C)C; C[CH]1CC(C)(C)N (C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14; C[ C@@H]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2= O)c4ccccc14 |
2-[2-oxidanylidene-2-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione |
| 17065 |  A1IW0 |
2 | C15 H28 | InChI=1S/C15H28/c1-6-14(4 )10-8-12-15(5)11-7-9-13(2 )3/h6,12-13H,7-11H2,1-5H3 /b14-6-,15-12+; JWYIGIOWHFKZIP-IBAFYIADSA-N |
C/C=C(/C)\CC/C=C(\C)/CCCC(C)C; C\C=C(C)/ CC\C=C(/C)CCCC(C)C; CC=C(C)CCC=C(C)CCCC( C)C |
(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6-diene |
| 17066 |  A1IW1 |
8 | C28 H30 N4 O4 | InChI=1S/C28H30N4O4/c33-2 4-9-8-23(25(34)29-24)32-1 7-20-6-7-21(16-22(20)27(3 2)36)31-15-12-28(18-31)10 -13-30(14-11-28)26(35)19- 4-2-1-3-5-19/h1-7,16,23H, 8-15,17-18H2,(H,29,33,34) /t23-/m0/s1; MMJAYQPOAOAOHR-QHCPKHFHSA-N |
O=C1CC[CH](N2Cc3ccc(cc3C2=O)N4CCC5(CCN(C C5)C(=O)c6ccccc6)C4)C(=O)N1; O=C1CC[C@H] (N2Cc3ccc(cc3C2=O)N4CCC5(CCN(CC5)C(=O)c6 ccccc6)C4)C(=O)N1; c1ccc(cc1)C(=O)N2CCC3 (CC2)CCN(C3)c4ccc5c(c4)C(=O)N(C5)[C@H]6C CC(=O)NC6=O; c1ccc(cc1)C(=O)N2CCC3(CC2)C CN(C3)c4ccc5c(c4)C(=O)N(C5)C6CCC(=O)NC6= O |
(3~{S})-3-[3-oxidanylidene-5-[8-(phenylcarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1~{H}-isoindol-2-yl]piperidine-2,6-dione |
| 17067 |  A1IW2 |
1 | C7 H5 Fe2 N2 O4 S2 | InChI=1S/C2H7NS2.CN.4CO.2 Fe/c4-1-3-2-5;5*1-2;;/h3- 5H,1-2H2;;;;;;;/q;;4*+1;; /p-2; XFZOTBOGDANNAV-UHFFFAOYSA-L |
C1NC[S-]2[Fe]([S-]1[Fe]2(C#N)(C#[O+])C#[ O+])(C#[O+])C#[O+]; N#C[Fe]1(C#[O+])(C#[ O+])[S-]2CNC[S-]1[Fe]2(C#[O+])C#[O+] |
6,6,7,7-tetrakis($l^{3}-oxidanylidynemethyl)-1$l^{3},5$l^{3}-dithia-3-aza-6$l^{5},7$l^{4}-diferrabicyclo[3.1.1]heptane-6-carbonitrile |
| 17068 |  A1IW3 |
2 | C28 H39 F2 N8 O15 P2 | InChI=1S/C28H38F2N8O15P2/ c1-13(36(2)27(43)35-17-9- 48-10-28(17,29)30)14-3-5- 37(6-4-14)25-21(41)19(39) 15(51-25)7-49-54(44,45)53 -55(46,47)50-8-16-20(40)2 2(42)26(52-16)38-12-34-18 -23(31)32-11-33-24(18)38/ h3-6,11-13,15-17,19-22,25 -26,39-42H,7-10H2,1-2H3,( H4-,31,32,33,35,43,44,45, 46,47)/p+1/t13-,15+,16+,1 7+,19+,20+,21+,22+,25+,26 +/m0/s1; FJAKNISJYIAILQ-WGZWPXMKSA-O |
C[C@H](N(C)C(=O)N[C@@H]1COCC1(F)F)c2cc[n +](cc2)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O) (=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cn c6c(N)ncnc56)[C@@H](O)[C@H]3O; CC(c1cc[n +](cc1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC 3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)N(C)C(= O)NC6COCC6(F)F; C[C@@H](c1cc[n+](cc1)[C@ H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(= O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cn c5c4ncnc5N)O)O)O)O)N(C)C(=O)N[C@@H]6COCC 6(F)F; C[CH](N(C)C(=O)N[CH]1COCC1(F)F)c2 cc[n+](cc2)[CH]3O[CH](CO[P](O)(=O)O[P](O )(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c( N)ncnc56)[CH](O)[CH]3O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17069 |  A1IW4 |
3 | C17 H14 N2 O2 | InChI=1S/C17H14N2O2/c20-1 6-10-9-15(17(21)18-16)19- 13-7-3-1-5-11(13)12-6-2-4 -8-14(12)19/h1-8,15H,9-10 H2,(H,18,20,21)/t15-/m0/s 1; FTULXIJEWZULEB-HNNXBMFYSA-N |
c1ccc2c(c1)c3ccccc3n2[C@H]4CCC(=O)NC4=O; O=C1CC[CH](n2c3ccccc3c4ccccc24)C(=O)N1; O=C1CC[C@H](n2c3ccccc3c4ccccc24)C(=O)N1 ; c1ccc2c(c1)c3ccccc3n2C4CCC(=O)NC4=O |
(3~{S})-3-carbazol-9-ylpiperidine-2,6-dione |
| 17070 |  A1IW5 |
1 | C12 H14 N2 O2 | InChI=1S/C12H14N2O2/c1-14 (9-5-3-2-4-6-9)10-7-8-11( 15)13-12(10)16/h2-6,10H,7 -8H2,1H3,(H,13,15,16)/t10 -/m0/s1; SVQCBKFBNAEURT-JTQLQIEISA-N |
CN([CH]1CCC(=O)NC1=O)c2ccccc2; CN([C@H]1 CCC(=O)NC1=O)c2ccccc2; CN(c1ccccc1)C2CCC (=O)NC2=O; CN(c1ccccc1)[C@H]2CCC(=O)NC2= O |
(3~{S})-3-[methyl(phenyl)amino]piperidine-2,6-dione |
| 17071 |  A1IW6 |
3 | C13 H12 N2 O2 | InChI=1S/C13H12N2O2/c16-1 2-6-5-11(13(17)14-12)15-8 -7-9-3-1-2-4-10(9)15/h1-4 ,7-8,11H,5-6H2,(H,14,16,1 7)/t11-/m0/s1; PECBNOFEMHFECB-NSHDSACASA-N |
O=C1CC[CH](n2ccc3ccccc23)C(=O)N1; c1ccc2 c(c1)ccn2C3CCC(=O)NC3=O; O=C1CC[C@H](n2c cc3ccccc23)C(=O)N1; c1ccc2c(c1)ccn2[C@H] 3CCC(=O)NC3=O |
(3~{S})-3-indol-1-ylpiperidine-2,6-dione |
| 17072 |  A1IW7 |
1 | C14 H16 N2 O2 | InChI=1S/C14H16N2O2/c17-1 3-8-7-12(14(18)15-13)16-9 -3-5-10-4-1-2-6-11(10)16/ h1-2,4,6,12H,3,5,7-9H2,(H ,15,17,18)/t12-/m1/s1; CTVSVGOYYDMZNQ-GFCCVEGCSA-N |
O=C1CC[C@@H](N2CCCc3ccccc23)C(=O)N1; c1c cc2c(c1)CCCN2C3CCC(=O)NC3=O; O=C1CC[CH]( N2CCCc3ccccc23)C(=O)N1; c1ccc2c(c1)CCCN2 [C@@H]3CCC(=O)NC3=O |
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione |
| 17073 |  A1IW8 |
2 | C11 H12 N2 O2 | InChI=1S/C11H12N2O2/c14-1 0-7-6-9(11(15)13-10)12-8- 4-2-1-3-5-8/h1-5,9,12H,6- 7H2,(H,13,14,15)/t9-/m1/s 1; IMJAVZDZCOZXOZ-SECBINFHSA-N |
c1ccc(cc1)N[C@@H]2CCC(=O)NC2=O; O=C1CC[C H](Nc2ccccc2)C(=O)N1; O=C1CC[C@@H](Nc2cc ccc2)C(=O)N1; c1ccc(cc1)NC2CCC(=O)NC2=O |
(3R)-3-phenylazanylpiperidine-2,6-dione |
| 17074 |  A1IW9 |
2 | C11 H11 N O3 | InChI=1S/C11H11NO3/c13-10 -7-6-9(11(14)12-10)15-8-4 -2-1-3-5-8/h1-5,9H,6-7H2, (H,12,13,14)/t9-/m1/s1; OXYRJECCEIXMTM-SECBINFHSA-N |
c1ccc(cc1)O[C@@H]2CCC(=O)NC2=O; O=C1CC[C H](Oc2ccccc2)C(=O)N1; c1ccc(cc1)OC2CCC(= O)NC2=O; O=C1CC[C@@H](Oc2ccccc2)C(=O)N1 |
(3~{R})-3-phenoxypiperidine-2,6-dione |
| 17075 |  A1IWA |
0 | C16 H19 N O4 | InChI=1S/C16H19NO4/c1-3-8 -20-13-6-4-12(5-7-13)9-14 -16(21-11(2)18)15(19)10-1 7-14/h1,4-7,14-17,19H,8-1 0H2,2H3/t14-,15+,16+/m1/s 1; ZCMDJPGGPUGBJT-PMPSAXMXSA-N |
CC(=O)O[CH]1[CH](O)CN[CH]1Cc2ccc(OCC#C)c c2; CC(=O)O[C@@H]1[C@@H](O)CN[C@@H]1Cc2c cc(OCC#C)cc2; CC(=O)OC1C(CNC1Cc2ccc(cc2) OCC#C)O; CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc 2ccc(cc2)OCC#C)O |
[(2R,3S,4S)-4-oxidanyl-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate |
| 17076 |  A1IWC |
2 | C31 H48 N6 O3 S | InChI=1S/C31H48N6O3S/c1-5 -6-7-8-9-20-35(23-27-16-1 8-32-19-17-27)41(39,40)22 -11-10-21-36-31(38)30-29( 25(3)33-36)26(4)37(34-30) 28-14-12-24(2)13-15-28/h1 2-15,27,32H,5-11,16-23H2, 1-4H3; DVTXDCJEWQTSFM-UHFFFAOYSA-N |
CCCCCCCN(CC1CCNCC1)S(=O)(=O)CCCCN2C(=O)c 3c(c(n(n3)c4ccc(cc4)C)C)C(=N2)C; CCCCCCC N(CC1CCNCC1)[S](=O)(=O)CCCCN2N=C(C)c3c(C )n(nc3C2=O)c4ccc(C)cc4 |
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-~{N}-heptyl-~{N}-(piperidin-4-ylmethyl)butane-1-sulfonamide |
| 17077 |  A1IWD |
2 | C34 H46 N6 O3 S | InChI=1S/C34H46N6O3S/c1-5 -28-9-8-10-29(23-28)17-21 -38(24-30-15-18-35-19-16- 30)44(42,43)22-7-6-20-39- 34(41)33-32(26(3)36-39)27 (4)40(37-33)31-13-11-25(2 )12-14-31/h8-14,23,30,35H ,5-7,15-22,24H2,1-4H3; QHFTYTSBWBJCGY-UHFFFAOYSA-N |
CCc1cccc(c1)CCN(CC2CCNCC2)S(=O)(=O)CCCCN 3C(=O)c4c(c(n(n4)c5ccc(cc5)C)C)C(=N3)C; CCc1cccc(CCN(CC2CCNCC2)[S](=O)(=O)CCCCN3 N=C(C)c4c(C)n(nc4C3=O)c5ccc(C)cc5)c1 |
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-~{N}-[2-(3-ethylphenyl)ethyl]-~{N}-(piperidin-4-ylmethyl)butane-1-sulfonamide |
| 17078 |  A1IWE |
5 | C16 H22 Br N3 O2 | InChI=1S/C16H22BrN3O2/c1- 3-15(21)19-6-8-20(9-7-19) 16(22)11-18-14-5-4-13(17) 10-12(14)2/h4-5,10,18H,3, 6-9,11H2,1-2H3; PHVHIYQQMVEZAM-UHFFFAOYSA-N |
CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(cc2C)Br; C CC(=O)N1CCN(CC1)C(=O)CNc2ccc(Br)cc2C |
1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one |
| 17079 |  A1IWF |
1 | C18 H16 F3 N O2 | InChI=1S/C18H16F3NO2/c1-1 8(11-23-10-13-15(20)7-4-8 -16(13)21)9-17(22-24-18)1 2-5-2-3-6-14(12)19/h2-8H, 9-11H2,1H3/t18-/m0/s1; ZEFIDENJKVKCIX-SFHVURJKSA-N |
CC1(CC(=NO1)c2ccccc2F)COCc3c(cccc3F)F; C [C@@]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F ; C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3 F; C[C@]1(CC(=NO1)c2ccccc2F)COCc3c(cccc3 F)F |
(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole |
| 17080 |  A1IWG |
4 | C14 H11 F N2 O5 | InChI=1S/C14H11FN2O5/c15- 9-4-7-6(3-8(9)14(21)22)5- 17(13(7)20)10-1-2-11(18)1 6-12(10)19/h3-4,10H,1-2,5 H2,(H,21,22)(H,16,18,19)/ t10-/m0/s1; OBCYSDKGKQWABZ-JTQLQIEISA-N |
c1c2c(cc(c1C(=O)O)F)C(=O)N(C2)[C@H]3CCC( =O)NC3=O; c1c2c(cc(c1C(=O)O)F)C(=O)N(C2) C3CCC(=O)NC3=O; OC(=O)c1cc2CN([C@H]3CCC( =O)NC3=O)C(=O)c2cc1F; OC(=O)c1cc2CN([CH] 3CCC(=O)NC3=O)C(=O)c2cc1F |
2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1-oxidanylidene-3~{H}-isoindole-5-carboxylic acid |
| 17081 |  A1IWH |
1 | C25 H26 Cl N3 O4 S | InChI=1S/C25H26ClN3O4S/c2 6-17-23(30)29(16-15-19-11 -13-22(14-12-19)34(27,32) 33)24(21-9-5-2-6-10-21)25 (31)28-18-20-7-3-1-4-8-20 /h1-14,24H,15-18H2,(H,28, 31)(H2,27,32,33)/t24-/m1/ s1; XYHZRIQHKQXNLJ-XMMPIXPASA-N |
N[S](=O)(=O)c1ccc(CCN([CH](C(=O)NCc2cccc c2)c3ccccc3)C(=O)CCl)cc1; c1ccc(cc1)CNC( =O)[C@@H](c2ccccc2)N(CCc3ccc(cc3)S(=O)(= O)N)C(=O)CCl; c1ccc(cc1)CNC(=O)C(c2ccccc 2)N(CCc3ccc(cc3)S(=O)(=O)N)C(=O)CCl; N[S ](=O)(=O)c1ccc(CCN([C@@H](C(=O)NCc2ccccc 2)c3ccccc3)C(=O)CCl)cc1 |
(2~{R})-2-[2-chloranylethanoyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2-phenyl-~{N}-(phenylmethyl)ethanamide |
| 17082 |  A1IWI |
2 | C32 H32 F2 N6 O4 S | InChI=1S/C32H32F2N6O4S/c1 -20(41)32-31(25-17-23(33) 7-10-27(25)36-32)28-19-40 (38-37-28)18-21-11-14-39( 15-12-21)16-13-35-45(43,4 4)24-8-5-22(6-9-24)30-26( 34)3-2-4-29(30)42/h2-10,1 7,19,21,35-36,42H,11-16,1 8H2,1H3; PDUWTNSNRYDIMZ-UHFFFAOYSA-N |
CC(=O)c1c(c2cc(ccc2[nH]1)F)c3cn(nn3)CC4C CN(CC4)CCNS(=O)(=O)c5ccc(cc5)c6c(cccc6F) O; CC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN( CCN[S](=O)(=O)c5ccc(cc5)c6c(O)cccc6F)CC4 )nn3 |
~{N}-[2-[4-[[4-(2-ethanoyl-5-fluoranyl-1~{H}-indol-3-yl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-fluoranyl-6-oxidanyl-phenyl)benzenesulfonamide |
| 17083 |  A1IWL |
2 | C30 H41 F2 N8 O16 P2 | InChI=1S/C30H40F2N8O16P2/ c1-38(29(45)37-19-10-50-1 1-30(19,31)32)15-3-2-6-51 -16-7-39(5-4-14(15)16)27- 23(43)21(41)17(54-27)8-52 -57(46,47)56-58(48,49)53- 9-18-22(42)24(44)28(55-18 )40-13-36-20-25(33)34-12- 35-26(20)40/h4-5,7,12-13, 15,17-19,21-24,27-28,41-4 4H,2-3,6,8-11H2,1H3,(H4-, 33,34,35,37,45,46,47,48,4 9)/p+1/t15-,17+,18+,19+,2 1+,22+,23+,24+,27+,28+/m0 /s1; QTVONEVUIRFLLQ-VZMMFNMKSA-O |
CN(C1CCCOc2c1cc[n+](c2)C3C(C(C(O3)COP(=O )(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N )O)O)O)O)C(=O)NC7COCC7(F)F; CN([CH]1CCCO c2c[n+](ccc12)[CH]3O[CH](CO[P](O)(=O)O[P ](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc 6c(N)ncnc56)[CH](O)[CH]3O)C(=O)N[CH]7COC C7(F)F; CN([C@H]1CCCOc2c[n+](ccc12)[C@@H ]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]4 O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56 )[C@@H](O)[C@H]3O)C(=O)N[C@@H]7COCC7(F)F ; CN([C@H]1CCCOc2c1cc[n+](c2)[C@H]3[C@@H ]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[ C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc 6N)O)O)O)O)C(=O)N[C@@H]7COCC7(F)F |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[(5~{S})-5-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]-2,3,4,5-tetrahydrooxepino[2,3-c]pyridin-8-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17084 |  A1IWM |
2 | C42 H47 N3 O25 | InChI=1S/C42H47N3O25/c46- 8-24-29(54)31(56)33(58)35 (69-24)13-4-16(27(52)22(4 9)6-13)38(61)44-19-11-67- 40(63)18(43-37(60)15-2-1- 3-21(48)26(15)51)10-66-41 (64)20(12-68-42(19)65)45- 39(62)17-5-14(7-23(50)28( 17)53)36-34(59)32(57)30(5 5)25(9-47)70-36/h1-7,18-2 0,24-25,29-36,46-59H,8-12 H2,(H,43,60)(H,44,61)(H,4 5,62)/t18-,19-,20-,24+,25 +,29-,30+,31-,32-,33+,34- ,35-,36-/m0/s1; NIGHGCIRXQBJIN-PUIMJEEYSA-N |
c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H] (COC(=O)[C@H](COC2=O)NC(=O)c3cc(cc(c3O)O )[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O) O)O)NC(=O)c5cc(cc(c5O)O)[C@H]6[C@H]([C@H ]([C@@H]([C@H](O6)CO)O)O)O; OC[CH]1O[CH] ([CH](O)[CH](O)[CH]1O)c2cc(O)c(O)c(c2)C( =O)N[CH]3COC(=O)[CH](COC(=O)[CH](COC3=O) NC(=O)c4cc(cc(O)c4O)[CH]5O[CH](CO)[CH](O )[CH](O)[CH]5O)NC(=O)c6cccc(O)c6O; OC[C@ H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)c2cc( O)c(O)c(c2)C(=O)N[C@H]3COC(=O)[C@H](COC( =O)[C@H](COC3=O)NC(=O)c4cc(cc(O)c4O)[C@@ H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)N C(=O)c6cccc(O)c6O; c1cc(c(c(c1)O)O)C(=O) NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cc(c c(c3O)O)C4C(C(C(C(O4)CO)O)O)O)NC(=O)c5cc (cc(c5O)O)C6C(C(C(C(O6)CO)O)O)O |
Salmochelin S4 |
| 17085 |  A1IWN |
2 | C34 H43 F2 N8 O16 P2 | InChI=1S/C34H42F2N8O16P2/ c1-42(33(49)41-23-14-54-1 5-34(23,35)36)20(11-55-19 -5-3-2-4-6-19)18-7-9-43(1 0-8-18)31-27(47)25(45)21( 58-31)12-56-61(50,51)60-6 2(52,53)57-13-22-26(46)28 (48)32(59-22)44-17-40-24- 29(37)38-16-39-30(24)44/h 2-10,16-17,20-23,25-28,31 -32,45-48H,11-15H2,1H3,(H 4-,37,38,39,41,49,50,51,5 2,53)/p+1/t20-,21+,22-,23 +,25+,26+,27+,28+,31+,32+ /m0/s1; WLDJLBRHPKDSEI-ZTRLWEDXSA-O |
CN([C@@H](COc1ccccc1)c2cc[n+](cc2)[C@H]3 [C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)( O)OCC4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc 6N)O)O)O)O)C(=O)N[C@@H]7COCC7(F)F; CN(C( COc1ccccc1)c2cc[n+](cc2)C3C(C(C(O3)COP(= O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6 N)O)O)O)O)C(=O)NC7COCC7(F)F; CN([CH](COc 1ccccc1)c2cc[n+](cc2)[CH]3O[CH](CO[P](O) (=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4 O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)C(=O)N[ CH]7COCC7(F)F; CN([C@@H](COc1ccccc1)c2cc [n+](cc2)[C@@H]3O[C@H](CO[P](O)(=O)O[P]( O)(=O)OC[C@@H]4O[C@H]([C@H](O)[C@@H]4O)n 5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O)C(=O)N[ C@@H]7COCC7(F)F |
[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{R})-1-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]-2-phenoxy-ethyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17086 |  A1IWO |
1 | C15 H14 Cl N5 O | InChI=1S/C15H14ClN5O/c16- 11-8-18-15(20-14(11)22-10 -5-6-17-7-10)21-9-19-12-3 -1-2-4-13(12)21/h1-4,8-10 ,17H,5-7H2; RTLRGXRMFWELCG-UHFFFAOYSA-N |
Clc1cnc(nc1O[CH]2CCNC2)n3cnc4ccccc34; Cl c1cnc(nc1O[C@@H]2CCNC2)n3cnc4ccccc34; c1 ccc2c(c1)ncn2c3ncc(c(n3)OC4CCNC4)Cl; c1c cc2c(c1)ncn2c3ncc(c(n3)O[C@@H]4CCNC4)Cl |
1-[5-chloranyl-4-[(3~{R})-pyrrolidin-3-yl]oxy-pyrimidin-2-yl]benzimidazole |
| 17087 |  A1IWR |
2 | C5 H8 N2 O | InChI=1S/C5H8N2O/c1-4-2-5 (3-6)7-8-4/h2H,3,6H2,1H3; AZVWIMLQRLKLHH-UHFFFAOYSA-N |
Cc1onc(CN)c1; Cc1cc(no1)CN | (5-methyl-1,2-oxazol-3-yl)methanamine |
| 17088 |  A1IWS |
1 | C3 H5 N3 O | InChI=1S/C3H5N3O/c4-2-1-3 (7)6-5-2/h1H,(H4,4,5,6,7); QZBGOTVBHYKUDS-UHFFFAOYSA-N |
NC1=CC(=O)NN1; C1=C(NNC1=O)N | 5-azanyl-1,2-dihydropyrazol-3-one |
| 17089 |  A1IWT |
1 | C3 H7 N3 O | InChI=1S/C3H7N3O/c4-2(5)1 -3(6)7/h1H2,(H3,4,5)(H2,6 ,7); RGXJMLZFKIUGNH-UHFFFAOYSA-N |
[H]/N=C(\CC(=O)N)/N; NC(=N)CC(N)=O; C(C( =N)N)C(=O)N |
3-azanyl-3-azanylidene-propanamide |
| 17090 |  A1IWU CHEMBL4538383 |
1 | C6 H9 N3 | InChI=1S/C6H9N3/c7-3-5-1- 2-6(8)9-4-5/h1-2,4H,3,7H2 ,(H2,8,9); PHBVTMQLXNCAQO-UHFFFAOYSA-N |
c1cc(ncc1CN)N; NCc1ccc(N)nc1 | 5-(aminomethyl)pyridin-2-amine |
| 17091 |  A1IWV |
2 | C5 H11 N O | InChI=1S/C5H11NO/c7-5-2-1 -3-6-4-5/h5-7H,1-4H2/t5-/ m1/s1; BIWOSRSKDCZIFM-RXMQYKEDSA-N |
C1CC(CNC1)O; O[C@@H]1CCCNC1; O[CH]1CCCNC 1; C1C[C@H](CNC1)O |
(3~{R})-piperidin-3-ol |
| 17092 |  A1IWW |
1 | C4 H10 N2 O | InChI=1S/C4H10N2O/c1-3(2) 4(5)6-7/h3,7H,1-2H3,(H2,5 ,6); JHRDEHLFNLLCQS-UHFFFAOYSA-N |
CC(C)C(N)=NO; CC(C)C(=NO)N; CC(C)/C(N)=N /O; CC(C)/C(=N/O)/N |
2-methyl-~{N}'-oxidanyl-propanimidamide |
| 17093 |  A1IWX |
1 | C23 H23 Cl2 N3 O5 S2 | InChI=1S/C23H23Cl2N3O5S2/ c1-33-19-9-6-16(13-18(19) 25)28(21(29)14-24)22(20-3 -2-12-34-20)23(30)27-11-1 0-15-4-7-17(8-5-15)35(26, 31)32/h2-9,12-13,22H,10-1 1,14H2,1H3,(H,27,30)(H2,2 6,31,32)/t22-/m0/s1; WURXSSHPNMZXLJ-QFIPXVFZSA-N |
COc1ccc(cc1Cl)N(C(c2cccs2)C(=O)NCCc3ccc( cc3)S(=O)(=O)N)C(=O)CCl; COc1ccc(cc1Cl)N ([CH](C(=O)NCCc2ccc(cc2)[S](N)(=O)=O)c3s ccc3)C(=O)CCl; COc1ccc(cc1Cl)N([C@H](C(= O)NCCc2ccc(cc2)[S](N)(=O)=O)c3sccc3)C(=O )CCl; COc1ccc(cc1Cl)N([C@@H](c2cccs2)C(= O)NCCc3ccc(cc3)S(=O)(=O)N)C(=O)CCl |
(2~{R})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-ethanamide |
| 17094 |  A1IWY |
1 | C28 H30 Cl N3 O5 S Si | InChI=1S/C28H30ClN3O5SSi/ c1-37-25-15-12-22(18-24(2 5)29)32(26(33)16-17-39(2, 3)4)27(21-10-13-23(14-11- 21)38(30,35)36)28(34)31-1 9-20-8-6-5-7-9-20/h5-15,1 8,27H,19H2,1-4H3,(H,31,34 )(H2,30,35,36)/t27-/m1/s1; SCSIQQONVAYEDI-HHHXNRCGSA-N |
COc1ccc(cc1Cl)N([C@@H](c2ccc(cc2)S(=O)(= O)N)C(=O)NCc3ccccc3)C(=O)C#C[Si](C)(C)C; COc1ccc(cc1Cl)N([CH](C(=O)NCc2ccccc2)c3 ccc(cc3)[S](N)(=O)=O)C(=O)C#C[Si](C)(C)C ; COc1ccc(cc1Cl)N(C(c2ccc(cc2)S(=O)(=O)N )C(=O)NCc3ccccc3)C(=O)C#C[Si](C)(C)C; CO c1ccc(cc1Cl)N([C@H](C(=O)NCc2ccccc2)c3cc c(cc3)[S](N)(=O)=O)C(=O)C#C[Si](C)(C)C |
~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide |
| 17095 |  A1IWZ |
2 | C15 H26 | InChI=1S/C15H26/c1-12(2)1 5-10-8-13(3)6-5-7-14(4)9- 11-15/h6,8,10,12,14-15H,5 ,7,9,11H2,1-4H3/b10-8+,13 -6-/t14-,15-/m1/s1; KLGULIQQGMAJOK-XPXAULBRSA-N |
CC1CCC=C(C=CC(CC1)C(C)C)C; C[C@@H]1CC\C= C(C)/C=C/[C@H](CC1)C(C)C; C[CH]1CCC=C(C) C=C[CH](CC1)C(C)C; C[C@@H]1CC/C=C(\C=C\[ C@H](CC1)C(C)C)/C |
(1~{Z},3~{E},5~{R},8~{S})-2,8-dimethyl-5-propan-2-yl-cyclodeca-1,3-diene |
| 17096 |  A1IX0 |
1 | C29 H31 N O6 | InChI=1S/C29H31NO6/c31-28 (30-23-4-2-1-3-5-23)18-36 -24-10-8-19-6-7-20(14-22( 19)15-24)25(17-29(32)33)2 1-9-11-26-27(16-21)35-13- 12-34-26/h6-11,14-16,23,2 5H,1-5,12-13,17-18H2,(H,3 0,31)(H,32,33)/t25-/m0/s1; PEYFZVKBZWMBBG-VWLOTQADSA-N |
c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCC3)C(CC(= O)O)c4ccc5c(c4)OCCO5; c1cc(cc2c1ccc(c2)O CC(=O)NC3CCCCC3)[C@H](CC(=O)O)c4ccc5c(c4 )OCCO5; OC(=O)C[CH](c1ccc2OCCOc2c1)c3ccc 4ccc(OCC(=O)NC5CCCCC5)cc4c3; OC(=O)C[C@H ](c1ccc2OCCOc2c1)c3ccc4ccc(OCC(=O)NC5CCC CC5)cc4c3 |
(3~{S})-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid |
| 17097 |  A1IX1 |
1 | C30 H33 N O6 | InChI=1S/C30H33NO6/c32-29 (31-24-5-3-1-2-4-6-24)19- 37-25-11-9-20-7-8-21(15-2 3(20)16-25)26(18-30(33)34 )22-10-12-27-28(17-22)36- 14-13-35-27/h7-12,15-17,2 4,26H,1-6,13-14,18-19H2,( H,31,32)(H,33,34)/t26-/m0 /s1; NADCPZSMBZDCAT-SANMLTNESA-N |
c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)[C@H] (CC(=O)O)c4ccc5c(c4)OCCO5; c1cc(cc2c1ccc (c2)OCC(=O)NC3CCCCCC3)C(CC(=O)O)c4ccc5c( c4)OCCO5; OC(=O)C[C@H](c1ccc2OCCOc2c1)c3 ccc4ccc(OCC(=O)NC5CCCCCC5)cc4c3; OC(=O)C [CH](c1ccc2OCCOc2c1)c3ccc4ccc(OCC(=O)NC5 CCCCCC5)cc4c3 |
(3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid |
| 17098 |  A1IX2 |
1 | C20 H28 N2 O4 | InChI=1S/C20H28N2O4/c23-1 9(21-16-5-2-1-3-6-16)14-2 6-18-8-4-7-17(13-18)22-11 -9-15(10-12-22)20(24)25/h 4,7-8,13,15-16H,1-3,5-6,9 -12,14H2,(H,21,23)(H,24,2 5); RZWMVPTXUFEHRU-UHFFFAOYSA-N |
c1cc(cc(c1)OCC(=O)NC2CCCCC2)N3CCC(CC3)C( =O)O; OC(=O)C1CCN(CC1)c2cccc(OCC(=O)NC3C CCCC3)c2 |
1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid |
| 17099 |  A1IX3 |
1 | C22 H27 N O4 | InChI=1S/C22H27NO4/c24-21 (23-19-5-3-1-2-4-6-19)15- 27-20-11-10-17-9-7-16(8-1 2-22(25)26)13-18(17)14-20 /h7,9-11,13-14,19H,1-6,8, 12,15H2,(H,23,24)(H,25,26 ); NOUZBDWDCVUKDP-UHFFFAOYSA-N |
OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c 1; c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)CC C(=O)O |
3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid |
| 17100 |  A1IX4 |
1 | C30 H33 N O6 | InChI=1S/C30H33NO6/c1-19- 12-27-28(37-18-36-27)15-2 5(19)26(16-30(33)34)21-9- 8-20-10-11-24(14-22(20)13 -21)35-17-29(32)31-23-6-4 -2-3-5-7-23/h8-15,23,26H, 2-7,16-18H2,1H3,(H,31,32) (H,33,34)/t26-/m0/s1; JHYRYAHHYMGUFW-SANMLTNESA-N |
Cc1cc2OCOc2cc1[C@@H](CC(O)=O)c3ccc4ccc(O CC(=O)NC5CCCCCC5)cc4c3; Cc1cc2c(cc1[C@@H ](CC(=O)O)c3ccc4ccc(cc4c3)OCC(=O)NC5CCCC CC5)OCO2; Cc1cc2c(cc1C(CC(=O)O)c3ccc4ccc (cc4c3)OCC(=O)NC5CCCCCC5)OCO2; Cc1cc2OCO c2cc1[CH](CC(O)=O)c3ccc4ccc(OCC(=O)NC5CC CCCC5)cc4c3 |
(3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid |
| 17101 |  A1IX5 |
3 | C10 H14 N2 O5 S | InChI=1S/C10H14N2O5S/c1-1 7-10(14)4-5-12-8-6-7(18(1 1,15)16)2-3-9(8)13/h2-3,6 ,12-13H,4-5H2,1H3,(H2,11, 15,16); QIQGJOYCMRSSDH-UHFFFAOYSA-N |
COC(=O)CCNc1cc(ccc1O)S(=O)(=O)N; COC(=O) CCNc1cc(ccc1O)[S](N)(=O)=O |
methyl 3-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]propanoate |
| 17102 |  A1IX7 |
1 | C21 H22 Cl2 N2 O2 | InChI=1S/C21H22Cl2N2O2/c1 -14-2-4-15(5-3-14)13-24-2 0(26)16-8-10-25(11-9-16)2 1(27)18-12-17(22)6-7-19(1 8)23/h2-7,12,16H,8-11,13H 2,1H3,(H,24,26); HWTLZRSGBYUJIG-UHFFFAOYSA-N |
Cc1ccc(CNC(=O)C2CCN(CC2)C(=O)c3cc(Cl)ccc 3Cl)cc1; Cc1ccc(cc1)CNC(=O)C2CCN(CC2)C(= O)c3cc(ccc3Cl)Cl |
1-[2,5-bis(chloranyl)phenyl]carbonyl-~{N}-[(4-methylphenyl)methyl]piperidine-4-carboxamide |
| 17103 |  A1IX9 |
2 | C25 H24 Cl F3 N4 O2 | InChI=1S/C25H24ClF3N4O2/c 1-15(22-19(26)4-3-5-21(22 )28)31-24(35)25(29)8-10-3 3(11-9-25)23(34)18-12-16( 6-7-20(18)27)17-13-30-32( 2)14-17/h3-7,12-15H,8-11H 2,1-2H3,(H,31,35)/t15-/m0 /s1; HLEDGKCLFTZSGP-HNNXBMFYSA-N |
CC(c1c(cccc1Cl)F)NC(=O)C2(CCN(CC2)C(=O)c 3cc(ccc3F)c4cnn(c4)C)F; C[CH](NC(=O)C1(F )CCN(CC1)C(=O)c2cc(ccc2F)c3cnn(C)c3)c4c( F)cccc4Cl; C[C@@H](c1c(cccc1Cl)F)NC(=O)C 2(CCN(CC2)C(=O)c3cc(ccc3F)c4cnn(c4)C)F; C[C@H](NC(=O)C1(F)CCN(CC1)C(=O)c2cc(ccc2 F)c3cnn(C)c3)c4c(F)cccc4Cl |
~{N}-[(1~{S})-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-4-fluoranyl-1-[2-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]carbonyl-piperidine-4-carboxamide |
| 17104 |  A1IXA |
2 | C11 H11 N O2 S | InChI=1S/C11H11NO2S/c13-1 0-7-6-9(11(14)12-10)15-8- 4-2-1-3-5-8/h1-5,9H,6-7H2 ,(H,12,13,14)/t9-/m0/s1; DVTWEZHTLIJLKO-VIFPVBQESA-N |
c1ccc(cc1)S[C@H]2CCC(=O)NC2=O; c1ccc(cc1 )SC2CCC(=O)NC2=O; O=C1CC[C@H](Sc2ccccc2) C(=O)N1; O=C1CC[CH](Sc2ccccc2)C(=O)N1 |
(3S)-3-phenylsulfanylpiperidine-2,6-dione |
| 17105 |  A1IXB |
4 | C9 H13 N O | InChI=1S/C9H13NO/c1-2-9(1 1)7-10-5-3-8(9)4-6-10/h1, 8,11H,3-7H2/t9-/m1/s1; YRTHQTAVIFQEEG-SECBINFHSA-N |
O[C]1(CN2CCC1CC2)C#C; C#CC1(CN2CCC1CC2)O ; O[C@@]1(CN2CCC1CC2)C#C; C#C[C@]1(CN2CC C1CC2)O |
(3~{R})-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol |
| 17106 |  A1IXC |
4 | C7 H13 N O | InChI=1S/C7H13NO/c9-7-5-8 -3-1-6(7)2-4-8/h6-7,9H,1- 5H2/t7-/m1/s1; IVLICPVPXWEGCA-SSDOTTSWSA-N |
C1CN2CCC1C(C2)O; O[CH]1CN2CCC1CC2; C1CN2 CCC1[C@@H](C2)O; O[C@@H]1CN2CCC1CC2 |
(3~{S})-1-azabicyclo[2.2.2]octan-3-ol |
| 17107 |  A1IXD |
1 | C24 H21 N7 O2 | InChI=1S/C24H21N7O2/c1-25 -23(32)16-8-10-17(11-9-16 )31-22(27-21(28-31)15-30- 13-5-12-26-30)20-14-29(2) 24(33)19-7-4-3-6-18(19)20 /h3-14H,15H2,1-2H3,(H,25, 32); GBJNLMVRTVMVRZ-UHFFFAOYSA-N |
CNC(=O)c1ccc(cc1)n2c(nc(n2)Cn3cccn3)C4=C N(C(=O)c5c4cccc5)C; CNC(=O)c1ccc(cc1)n2n c(Cn3cccn3)nc2C4=CN(C)C(=O)c5ccccc45 |
~{N}-methyl-4-[5-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazol-1-yl]benzamide |
| 17108 |  A1IXE |
1 | C19 H24 N4 O3 S | InChI=1S/C19H24N4O3S/c1-1 4-3-5-16(6-4-14)23-15(2)2 0-21-18(23)27-11-17(24)22 -8-10-25-9-7-19(22)12-26- 13-19/h3-6H,7-13H2,1-2H3; KUDKRWGVGOOBNR-UHFFFAOYSA-N |
Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4 )C; Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC 34COC4 |
1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone |
| 17109 |  A1IXF |
1 | C16 H26 N4 O4 S | InChI=1S/C16H26N4O4S/c1-1 0-19-20-13(25-10)18-11(21 )7-17-16(12(22)23-6)8-14( 2,3)24-15(4,5)9-16/h17H,7 -9H2,1-6H3,(H,18,20,21); CPUHENVWIHLLEI-UHFFFAOYSA-N |
COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2s c(C)nn2; Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)( C)C)(C)C)C(=O)OC |
methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate |
| 17110 |  A1IXG |
20 | C27 H27 O12 P3 | InChI=1S/C27H27O12P3/c1-1 0-11(2)23-17-8-19-21-9-20 -18-7-16(17)22(10)34-40(2 8,29)36-24(18)12(3)13(4)2 6(20)38-42(32,33)39-27(21 )15(6)14(5)25(19)37-41(30 ,31)35-23/h7-9H2,1-6H3,(H ,28,29)(H,30,31)(H,32,33); NGGZXQPIFFAJMJ-UHFFFAOYSA-N |
Cc1c(C)c2O[P](O)(=O)Oc3c(C)c(C)c4O[P](O) (=O)Oc5c(C)c(C)c6O[P](O)(=O)Oc1c7Cc6c5Cc 4c3Cc27; Cc1c(c2c3c4c1OP(=O)(Oc5c(c(c6c( c5C4)Cc7c(c(c(c(c7OP(=O)(O6)O)C)C)OP(=O) (O2)O)C3)C)C)O)C |
phosphated-cyclotrixylohydroquinoylene |
| 17111 |  A1IXH |
2 | C29 H28 F3 N O5 | InChI=1S/C29H28F3NO5/c1-1 8-20(4-3-5-23(18)21-9-11- 25-26(15-21)38-13-12-37-2 5)7-8-22-14-19(6-10-24(22 )29(30,31)32)16-33-28(2,1 7-34)27(35)36/h3-11,14-15 ,33-34H,12-13,16-17H2,1-2 H3,(H,35,36)/b8-7+/t28-/m 1/s1; PTGUEPRQUFAZLN-UWSNOUECSA-N |
Cc1c(cccc1c2ccc3c(c2)OCCO3)/C=C/c4cc(ccc 4C(F)(F)F)CN[C@](C)(CO)C(=O)O; Cc1c(cccc 1c2ccc3c(c2)OCCO3)C=Cc4cc(ccc4C(F)(F)F)C NC(C)(CO)C(=O)O; Cc1c(cccc1c2ccc3OCCOc3c 2)C=Cc4cc(CN[C](C)(CO)C(O)=O)ccc4C(F)(F) F; Cc1c(cccc1c2ccc3OCCOc3c2)/C=C/c4cc(CN [C@](C)(CO)C(O)=O)ccc4C(F)(F)F |
(2~{R})-2-[[3-[(~{E})-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-oxidanyl-propanoic acid |
| 17112 |  A1IXI |
3 | C11 H15 N4 O8 P | InChI=1S/C11H15N4O8P/c12- 11-14-5-3(1-13-6(5)10(18) 15-11)9-8(17)7(16)4(23-9) 2-22-24(19,20)21/h1,4,7-9 ,13,16-17H,2H2,(H2,19,20, 21)(H3,12,14,15,18)/t4-,7 -,8-,9-/m1/s1; OHDNVDXQRZLJEP-XCBZGROMSA-N |
Nc1nc(O)c2[nH]cc([CH]3O[CH](CO[P](O)(O)= O)[CH](O)[CH]3O)c2n1; Nc1nc(O)c2[nH]cc([ C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] 3O)c2n1; c1c(c2c([nH]1)c(nc(n2)N)O)C3C(C (C(O3)COP(=O)(O)O)O)O; c1c(c2c([nH]1)c(n c(n2)N)O)[C@@H]3[C@@H]([C@@H]([C@H](O3)C OP(=O)(O)O)O)O |
9-deazaguanosine-5'-monophosphate; [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanyl-5~{H}-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 17113 |  A1IXJ |
1 | C14 H11 N Ru Se | InChI=1S/C14H11NSe.Ru/c1- 2-6-12(7-3-1)10-15-11-16- 14-9-5-4-8-13(14)15;/h1-9 H,10H2;; BGMZFMPODPDLFN-UHFFFAOYSA-N |
c1ccc(cc1)CN2c3ccccc3[Se]C2=[Ru]; [Ru]=C 1[Se]c2ccccc2N1Cc3ccccc3 |
[3-(phenylmethyl)-1,3-benzoselenazol-2-ylidene]ruthenium |
| 17114 |  A1IXK |
1 | C14 H11 N Ru S | InChI=1S/C14H11NS.Ru/c1-2 -6-12(7-3-1)10-15-11-16-1 4-9-5-4-8-13(14)15;/h1-9H ,10H2;; XEBROALTMNVDDE-UHFFFAOYSA-N |
c1ccc(cc1)CN2c3ccccc3SC2=[Ru]; [Ru]=C1Sc 2ccccc2N1Cc3ccccc3 |
[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ruthenium |
| 17115 |  A1IXL |
2 | C27 H28 Cl2 N6 O2 | InChI=1S/C27H28Cl2N6O2/c2 8-21-6-3-7-23(25(21)29)34 -15-13-33(14-16-34)12-2-1 -11-31-26(36)35-24-17-19( 20-5-4-10-30-18-20)8-9-22 (24)32-27(35)37/h3-10,17- 18H,1-2,11-16H2,(H,31,36) (H,32,37); VELXFGYVMVTLMF-UHFFFAOYSA-N |
Clc1cccc(N2CCN(CCCCNC(=O)N3C(=O)Nc4ccc(c c34)c5cccnc5)CC2)c1Cl; c1cc(c(c(c1)Cl)Cl )N2CCN(CC2)CCCCNC(=O)N3c4cc(ccc4NC3=O)c5 cccnc5 |
~{N}-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
| 17116 |  A1IXM |
2 | C26 H26 Cl2 N6 O2 | InChI=1S/C26H26Cl2N6O2/c2 7-20-5-1-6-22(24(20)28)33 -14-12-32(13-15-33)11-3-1 0-30-25(35)34-23-16-18(19 -4-2-9-29-17-19)7-8-21(23 )31-26(34)36/h1-2,4-9,16- 17H,3,10-15H2,(H,30,35)(H ,31,36); QSLKMFIYZMLKJC-UHFFFAOYSA-N |
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c 4cc(ccc4NC3=O)c5cccnc5; Clc1cccc(N2CCN(C CCNC(=O)N3C(=O)Nc4ccc(cc34)c5cccnc5)CC2) c1Cl |
~{N}-[3-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]propyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
| 17117 |  A1IXN |
2 | C26 H28 N6 O2 | InChI=1S/C26H28N6O2/c33-2 5(28-12-5-13-30-14-16-31( 17-15-30)22-7-2-1-3-8-22) 32-24-18-20(21-6-4-11-27- 19-21)9-10-23(24)29-26(32 )34/h1-4,6-11,18-19H,5,12 -17H2,(H,28,33)(H,29,34); YMOXHFNCFJKODZ-UHFFFAOYSA-N |
O=C(NCCCN1CCN(CC1)c2ccccc2)N3C(=O)Nc4ccc (cc34)c5cccnc5; c1ccc(cc1)N2CCN(CC2)CCCN C(=O)N3c4cc(ccc4NC3=O)c5cccnc5 |
2-oxidanylidene-~{N}-[3-(4-phenylpiperazin-1-yl)propyl]-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
| 17118 |  A1IXO |
3 | C16 H13 Cl2 N3 O S | InChI=1S/C16H13Cl2N3OS/c1 7-11-3-1-9(7-12(11)18)5-6 -20-15(22)10-2-4-13-14(8- 10)23-16(19)21-13/h1-4,7- 8H,5-6H2,(H2,19,21)(H,20, 22); LRVHLUOWNBPOQG-UHFFFAOYSA-N |
Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)c(Cl)c3 ; c1cc(c(cc1CCNC(=O)c2ccc3c(c2)sc(n3)N)C l)Cl |
2-azanyl-~{N}-[2-(3,4-dichlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| 17119 |  A1IXP |
4 | C16 H14 Cl N3 O S | InChI=1S/C16H14ClN3OS/c17 -12-3-1-2-10(8-12)6-7-19- 15(21)11-4-5-13-14(9-11)2 2-16(18)20-13/h1-5,8-9H,6 -7H2,(H2,18,20)(H,19,21); CKPABJYZGRRZHO-UHFFFAOYSA-N |
Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Cl)c3; c1 cc(cc(c1)Cl)CCNC(=O)c2ccc3c(c2)sc(n3)N |
2-azanyl-~{N}-[2-(3-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| 17120 |  A1IXQ |
3 | C16 H14 Cl N3 O S | InChI=1S/C16H14ClN3OS/c17 -12-4-1-10(2-5-12)7-8-19- 15(21)11-3-6-13-14(9-11)2 2-16(18)20-13/h1-6,9H,7-8 H2,(H2,18,20)(H,19,21); JTXCPDGCZHOONR-UHFFFAOYSA-N |
Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)cc3; c1 cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Cl |
2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| 17121 |  A1IXR |
3 | C16 H14 Br N3 O S | InChI=1S/C16H14BrN3OS/c17 -12-3-1-2-10(8-12)6-7-19- 15(21)11-4-5-13-14(9-11)2 2-16(18)20-13/h1-5,8-9H,6 -7H2,(H2,18,20)(H,19,21); LCUDCULHJDOBCU-UHFFFAOYSA-N |
c1cc(cc(c1)Br)CCNC(=O)c2ccc3c(c2)sc(n3)N ; Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Br)c3 |
2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| 17122 |  A1IXS |
3 | C16 H14 Br N3 O S | InChI=1S/C16H14BrN3OS/c17 -12-4-1-10(2-5-12)7-8-19- 15(21)11-3-6-13-14(9-11)2 2-16(18)20-13/h1-6,9H,7-8 H2,(H2,18,20)(H,19,21); BMEXBFSZNBTWKI-UHFFFAOYSA-N |
Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3; c1 cc(ccc1CCNC(=O)c2ccc3c(c2)sc(n3)N)Br |
2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| 17123 |  A1IXV |
1 | C10 H12 Cl N3 O2 | InChI=1S/C10H12ClN3O2/c11 -5-9(16)13-7-4-8(15)14-10 -6(7)2-1-3-12-10/h4H,1-3, 5H2,(H3,12,13,14,15,16); RKWRPDDLRMOMHG-UHFFFAOYSA-N |
C1CC2=C(NC1)NC(=O)C=C2NC(=O)CCl; ClCC(=O )NC1=CC(=O)NC2=C1CCCN2 |
2-chloranyl-~{N}-(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-1,8-naphthyridin-4-yl)ethanamide |
| 17124 |  A1IXX |
1 | C24 H27 N3 O3 | InChI=1S/C24H27N3O3/c1-26 (2)24(11-14-30-15-12-24)1 7-25-22(28)20-8-9-21-19(1 6-20)10-13-27(21)23(29)18 -6-4-3-5-7-18/h3-10,13,16 H,11-12,14-15,17H2,1-2H3, (H,25,28); XGNCGYKTOSZKDU-UHFFFAOYSA-N |
CN(C)C1(CCOCC1)CNC(=O)c2ccc3n(ccc3c2)C(= O)c4ccccc4; CN(C)C1(CCOCC1)CNC(=O)c2ccc3 c(c2)ccn3C(=O)c4ccccc4 |
~{N}-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(phenylcarbonyl)indole-5-carboxamide; (1-benzoyl-N-((4-(dimethylamino)tetrahydro-2H-pyran-4-yl)methyl)indoline-5-carboxamide) |
| 17125 |  A1IXY |
1 | C28 H29 N O6 | InChI=1S/C28H29NO6/c30-27 (29-22-4-2-1-3-5-22)16-33 -23-10-8-18-6-7-19(12-21( 18)13-23)24(15-28(31)32)2 0-9-11-25-26(14-20)35-17- 34-25/h6-14,22,24H,1-5,15 -17H2,(H,29,30)(H,31,32)/ t24-/m0/s1; GVTIKVQUYBWQLK-DEOSSOPVSA-N |
c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCC3)C(CC(= O)O)c4ccc5c(c4)OCO5; OC(=O)C[CH](c1ccc2O COc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3; OC(=O)C[C@H](c1ccc2OCOc2c1)c3ccc4ccc(OC C(=O)NC5CCCCC5)cc4c3; c1cc(cc2c1ccc(c2)O CC(=O)NC3CCCCC3)[C@H](CC(=O)O)c4ccc5c(c4 )OCO5 |
(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid |
| 17126 |  A1IXZ |
1 | C28 H27 N O6 | InChI=1S/C28H27NO6/c30-27 (29-22-4-2-1-3-5-22)16-33 -23-10-8-18-6-7-19(12-21( 18)13-23)24(15-28(31)32)2 0-9-11-25-26(14-20)35-17- 34-25/h2,4,6-14,22,24H,1, 3,5,15-17H2,(H,29,30)(H,3 1,32)/t22-,24-/m0/s1; ZRNMFRDXSKOSDV-UPVQGACJSA-N |
OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC( =O)N[CH]5CCCC=C5)cc4c3; c1cc(cc2c1ccc(c2 )OCC(=O)N[C@@H]3CCCC=C3)[C@H](CC(=O)O)c4 ccc5c(c4)OCO5; c1cc(cc2c1ccc(c2)OCC(=O)N C3CCCC=C3)C(CC(=O)O)c4ccc5c(c4)OCO5; OC( =O)C[C@H](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O )N[C@@H]5CCCC=C5)cc4c3 |
(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid |
| 17127 |  A1IY0 |
1 | C20 H33 N7 O13 P2 S | InChI=1S/C20H33N7O13P2S/c 1-3-4-26-20(22-2)39-15-13 (29)10(38-19(15)43-20)6-3 6-42(33,34)40-41(31,32)35 -5-9-12(28)14(30)18(37-9) 27-8-25-11-16(21)23-7-24- 17(11)27/h7-10,12-15,18-1 9,22,26,28-30H,3-6H2,1-2H 3,(H,31,32)(H,33,34)(H2,2 1,23,24)/t9-,10-,12-,13-, 14-,15-,18-,19-,20-/m1/s1; RTLOVKKJOOOFSD-SUAKPWHCSA-N |
CCCN[C@]1(NC)O[C@@H]2[C@H](O)[C@@H](CO[P ](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H]( O)[C@@H]3O)n4cnc5c(N)ncnc45)O[C@@H]2S1; CCCN[C]1(NC)O[CH]2[CH](O)[CH](CO[P](O)(= O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O) n4cnc5c(N)ncnc45)O[CH]2S1; CCCNC1(OC2C(C (OC2S1)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n 4cnc5c4ncnc5N)O)O)O)NC; CCCN[C@@]1(O[C@@ H]2[C@@H]([C@H](O[C@@H]2S1)COP(=O)(O)OP( =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c nc5c4ncnc5N)O)O)O)NC |
[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17128 |  A1IY4 |
4 | C7 H13 N3 O3 | InChI=1S/C7H13N3O3/c8-7(1 2)6-2-1-5(9-13)3-10(6)4-1 1/h4-6,9,13H,1-3H2,(H2,8, 12)/t5-,6+/m1/s1; YYMMOYFGEZDTRI-RITPCOANSA-N |
C1C[C@H](N(C[C@@H]1NO)C=O)C(=O)N; C1CC(N (CC1NO)C=O)C(=O)N; NC(=O)[CH]1CC[CH](CN1 C=O)NO; NC(=O)[C@@H]1CC[C@H](CN1C=O)NO |
(2S,5R)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide; avibactam, reacted form |
| 17129 |  A1IY5 |
0 | C33 H48 N4 O4 | InChI=1S/C33H48N4O4/c38-3 0-24-32(40)37-29(23-27-18 -15-20-34-25-27)33(41)35- 21-14-9-7-5-3-1-2-4-6-8-1 3-19-31(39)36-28(30)22-26 -16-11-10-12-17-26/h10-12 ,15-18,20,25,28-30,38H,1- 9,13-14,19,21-24H2,(H,35, 41)(H,36,39)(H,37,40)/t28 -,29-,30-/m0/s1; RYGGELGJKGMCRW-DTXPUJKBSA-N |
c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O )NCCCCCCCCCCCCCC(=O)N2)Cc3cccnc3)O; O[C@ H]1CC(=O)N[C@@H](Cc2cccnc2)C(=O)NCCCCCCC CCCCCCC(=O)N[C@H]1Cc3ccccc3; O[CH]1CC(=O )N[CH](Cc2cccnc2)C(=O)NCCCCCCCCCCCCCC(=O )N[CH]1Cc3ccccc3; c1ccc(cc1)CC2C(CC(=O)N C(C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3cccnc3)O |
(3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-3-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione |
| 17130 |  A1IY6 |
0 | C14 H22 N8 O4 Se | InChI=1S/C14H22N8O4Se/c15 -5(11(17)25)1-2-27-3-6-8( 23)9(24)13(26-6)22-4-19-7 -10(16)20-14(18)21-12(7)2 2/h4-6,8-9,13,23-24H,1-3, 15H2,(H2,17,25)(H4,16,18, 20,21)/t5-,6+,8+,9+,13+/m 0/s1; MSXIHLRPNLBPQD-YTMOPEAISA-N |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)C[Se]CC[C@@H](C(=O)N)N)O)O)N)N; N[CH ](CC[Se]C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3 c(N)nc(N)nc23)C(N)=O; c1nc2c(nc(nc2n1C3C (C(C(O3)C[Se]CCC(C(=O)N)N)O)O)N)N; N[C@@ H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O) n2cnc3c(N)nc(N)nc23)C(N)=O |
Se-2,6-diaminopurinribosyl-selenohomocysteineamide; (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylselanyl]butanamide; SeDHA |
| 17131 |  A1IY7 |
1 | C14 H12 N2 O | InChI=1S/C14H12N2O/c1-9-6 -7-10(8-13(9)17)14-11-4-2 -3-5-12(11)15-16-14/h2-8, 17H,1H3,(H,15,16); NWZPHRUFHASTQV-UHFFFAOYSA-N |
Cc1ccc(cc1O)c2[nH]nc3ccccc23; Cc1ccc(cc1 O)c2c3ccccc3n[nH]2 |
5-(2~{H}-indazol-3-yl)-2-methyl-phenol |
| 17132 |  A1IY9 |
17 | C36 H48 N7 O18 P3 S | InChI=1S/C36H48N7O18P3S/c 1-21(22-8-7-11-24(16-22)5 8-23-9-5-4-6-10-23)35(48) 65-15-14-38-26(44)12-13-3 9-33(47)30(46)36(2,3)18-5 7-64(54,55)61-63(52,53)56 -17-25-29(60-62(49,50)51) 28(45)34(59-25)43-20-42-2 7-31(37)40-19-41-32(27)43 /h4-11,16,19-21,25,28-30, 34,45-46H,12-15,17-18H2,1 -3H3,(H,38,44)(H,39,47)(H ,52,53)(H,54,55)(H2,37,40 ,41)(H2,49,50,51)/t21-,25 -,28+,29+,30-,34+/m0/s1; OTTFNKHXEHYZEJ-KRDHYROXSA-N |
C[C@@H](c1cccc(c1)Oc2ccccc2)C(=O)SCCNC(= O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O) (O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c 4ncnc5N)O)OP(=O)(O)O)O; C[C@H](C(=O)SCCN C(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O) O[P](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@@H ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)c4cccc(O c5ccccc5)c4; CC(c1cccc(c1)Oc2ccccc2)C(=O )SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP( =O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(= O)(O)O)O; C[CH](C(=O)SCCNC(=O)CCNC(=O)[C H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c (N)ncnc23)c4cccc(Oc5ccccc5)c4 |
(S)-Fenoprofenoyl-CoA; ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-phenoxyphenyl)propanethioate |
| 17133 |  A1IYB |
8 | C60 H77 Br N9 O8 S | InChI=1S/C60H76BrN9O8S/c1 -36-52(79-35-62-36)39-18- 16-38(17-19-39)45(63-54(7 2)49-29-41(71)32-68(49)56 (74)53(59(2,3)4)64-57(75) 60(22-23-60)66(5)6)34-76- 28-26-67-24-20-37(21-25-6 7)43-30-47-48(31-50(43)78 -33-42-13-10-27-77-42)70- 46-15-9-14-44(61)51(46)55 (73)65-58(70)69(47)40-11- 7-8-12-40/h9,14-19,30-31, 35,37,40-42,45,49,53,71H, 7-8,10-13,20-29,32-34H2,1 -6H3,(H2,63,64,72,75)/p+1 /t41-,42+,45+,49+,53-/m1/ s1; JTSQNEGVKPBGFT-DJYVOOHTSA-O |
Cc1c(scn1)c2ccc(cc2)C(COCCN3CCC(CC3)c4cc 5c(cc4OCC6CCCO6)n-7c([n+]5C8CCCC8)NC(=O) c9c7cccc9Br)NC(=O)C1CC(CN1C(=O)C(C(C)(C) C)NC(=O)C1(CC1)N(C)C)O; Cc1c(scn1)c2ccc( cc2)[C@H](COCCN3CCC(CC3)c4cc5c(cc4OC[C@@ H]6CCCO6)n-7c([n+]5C8CCCC8)NC(=O)c9c7ccc c9Br)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C (C)(C)C)NC(=O)C1(CC1)N(C)C)O; CN(C)C1(CC 1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)N [CH](COCCN3CCC(CC3)c4cc5c(cc4OC[CH]6CCCO 6)n7c(NC(=O)c8c(Br)cccc78)[n+]5C9CCCC9)c %10ccc(cc%10)c%11scnc%11C)C(C)(C)C; CN(C )C1(CC1)C(=O)N[C@H](C(=O)N2C[C@H](O)C[C@ H]2C(=O)N[C@@H](COCCN3CCC(CC3)c4cc5c(cc4 OC[C@@H]6CCCO6)n7c(NC(=O)c8c(Br)cccc78)[ n+]5C9CCCC9)c%10ccc(cc%10)c%11scnc%11C)C (C)(C)C |
(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-9-yl]piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17134 |  A1IYE |
1 | C18 H13 Br O6 | InChI=1S/C18H13BrO6/c19-1 2-6-4-10(5-7-12)15-16(22) 18(23)25-17(15)11-2-1-3-1 3(8-11)24-9-14(20)21/h1-8 ,17,22H,9H2,(H,20,21)/t17 -/m1/s1; UWLVUUWPNDCOQR-QGZVFWFLSA-N |
OC(=O)COc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc( Br)cc3)O; c1cc(cc(c1)OCC(=O)O)C2C(=C(C(= O)O2)O)c3ccc(cc3)Br; c1cc(cc(c1)OCC(=O)O )[C@@H]2C(=C(C(=O)O2)O)c3ccc(cc3)Br; OC( =O)COc1cccc(c1)[C@H]2OC(=O)C(=C2c3ccc(Br )cc3)O |
2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid |
| 17135 |  A1IYF CHEMBL362558 DB11913 |
5 | C28 H25 F N6 O3 | InChI=1S/C28H25FN6O3/c29- 18-12-17-15-34(28(38)32-7 -3-1-4-8-32)11-10-33-16-2 0(19(13-18)25(17)33)23-24 (27(37)31-26(23)36)21-14- 30-22-6-2-5-9-35(21)22/h2 ,5-6,9,12-14,16H,1,3-4,7- 8,10-11,15H2,(H,31,36,37); HRJWTAWVFDCTGO-UHFFFAOYSA-N |
Fc1cc2CN(CCn3cc(c(c1)c23)C4=C(C(=O)NC4=O )c5cnc6ccccn56)C(=O)N7CCCCC7; c1ccn2c(c1 )ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(C C5)C(=O)N7CCCCC7)F |
LY-2090314; 3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione |
| 17136 |  A1IYG |
1 | C25 H27 N3 O3 S | InChI=1S/C25H27N3O3S/c29- 25-16-31-24-7-6-20(14-22( 24)27-25)30-12-3-10-26-19 -8-11-28(15-19)23-5-2-1-4 -21(23)18-9-13-32-17-18/h 1-2,4-7,9,13-14,17,19,26H ,3,8,10-12,15-16H2,(H,27, 29)/t19-/m0/s1; GAUUHDKNCXFZEI-IBGZPJMESA-N |
c1ccc(c(c1)c2ccsc2)N3CC[C@@H](C3)NCCCOc4 ccc5c(c4)NC(=O)CO5; c1ccc(c(c1)c2ccsc2)N 3CCC(C3)NCCCOc4ccc5c(c4)NC(=O)CO5; O=C1C Oc2ccc(OCCCN[C@H]3CCN(C3)c4ccccc4c5cscc5 )cc2N1; O=C1COc2ccc(OCCCN[CH]3CCN(C3)c4c cccc4c5cscc5)cc2N1 |
6-[3-[[(3~{S})-1-(2-thiophen-3-ylphenyl)pyrrolidin-3-yl]amino]propoxy]-4~{H}-1,4-benzoxazin-3-one |
| 17137 |  A1IYH |
0 | C28 H23 F N6 O3 | InChI=1S/C28H23FN6O3/c29- 18-12-17-15-34(28(38)32-7 -3-1-4-8-32)11-10-33-16-2 0(19(13-18)25(17)33)23-24 (27(37)31-26(23)36)21-14- 30-22-6-2-5-9-35(21)22/h2 ,5-6,9-14,16H,1,3-4,7-8,1 5H2,(H,31,36,37); OBZQVDMFDYOKTH-UHFFFAOYSA-N |
Fc1cc2CN(C=Cn3cc(c(c1)c23)C4=C(C(=O)NC4= O)c5cnc6ccccn56)C(=O)N7CCCCC7; c1ccn2c(c 1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN( C=C5)C(=O)N7CCCCC7)F |
3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13),11-pentaen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione |
| 17138 |  A1IYK |
0 | C18 H18 Cl N3 O2 | InChI=1S/C18H18ClN3O2/c1- 11-6-7-12(10-13(11)17(20) 23)21-15-8-9-22(18(15)24) 16-5-3-2-4-14(16)19/h2-7, 10,15,21H,8-9H2,1H3,(H2,2 0,23)/t15-/m0/s1; QGUKHHBQJVYLMV-HNNXBMFYSA-N |
Cc1ccc(cc1C(=O)N)NC2CCN(C2=O)c3ccccc3Cl; Cc1ccc(cc1C(=O)N)N[C@H]2CCN(C2=O)c3cccc c3Cl; Cc1ccc(N[CH]2CCN(C2=O)c3ccccc3Cl)c c1C(N)=O; Cc1ccc(N[C@H]2CCN(C2=O)c3ccccc 3Cl)cc1C(N)=O |
5-[[(3S)-1-(2-chlorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-2-methyl-benzamide; 5-{[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino}-2-methylbenzamide |
| 17139 |  A1IYL |
1 | C23 H28 N4 O4 | InChI=1S/C23H28N4O4/c1-14 (2)11-19(23(31)26-17(13-2 8)12-16-8-10-25-21(16)29) 27-22(30)18-7-3-5-15-6-4- 9-24-20(15)18/h3-7,9,13-1 4,16-17,19H,8,10-12H2,1-2 H3,(H,25,29)(H,26,31)(H,2 7,30)/t16-,17-,19-/m0/s1; BECRDGNKPCGVAA-LNLFQRSKSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C=O)NC(=O)c2cccc3c2nccc3; CC(C)C[CH](N C(=O)c1cccc2cccnc12)C(=O)N[CH](C[CH]3CCN C3=O)C=O; CC(C)C[C@H](NC(=O)c1cccc2cccnc 12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O; CC( C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)c2cccc 3c2nccc3 |
~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]quinoline-8-carboxamide |
| 17140 |  A1IYM |
2 | C54 H65 Br F N8 O6 S | InChI=1S/C54H64BrFN8O6S/c 1-32-46(71-31-58-32)35-14 -15-36(29-57-48(66)43-28- 38(65)30-62(43)50(68)47(5 3(2,3)4)59-51(69)54(56)20 -21-54)44(27-35)70-25-8-7 -22-61-23-18-33(19-24-61) 34-16-17-40-42(26-34)63(3 7-10-5-6-11-37)52-60-49(6 7)45-39(55)12-9-13-41(45) 64(40)52/h9,12-17,26-27,3 1,33,37-38,43,47,65H,5-8, 10-11,18-25,28-30H2,1-4H3 ,(H,57,66)(H,59,69)/p+1/t 38-,43+,47-/m1/s1; UUZDQZUUNLKFCW-MXPJCAPISA-O |
Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(= O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCC[N H+]5CCC(CC5)c6ccc7N8C(=NC(=O)c9c(Br)cccc 89)N(C%10CCCC%10)c7c6)c2; Cc1c(scn1)c2cc c(c(c2)OCCCC[NH+]3CCC(CC3)c4ccc5c(c4)N(C 6=NC(=O)c7c(cccc7Br)N56)C8CCCC8)CNC(=O)[ C@@H]9C[C@H](CN9C(=O)[C@H](C(C)(C)C)NC(= O)C1(CC1)F)O; Cc1c(scn1)c2ccc(c(c2)OCCCC [NH+]3CCC(CC3)c4ccc5c(c4)N(C6=NC(=O)c7c( cccc7Br)N56)C8CCCC8)CNC(=O)C9CC(CN9C(=O) C(C(C)(C)C)NC(=O)C1(CC1)F)O; Cc1ncsc1c2c cc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H ](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCC[NH+]5C CC(CC5)c6ccc7N8C(=NC(=O)c9c(Br)cccc89)N( C%10CCCC%10)c7c6)c2 |
(2~{S},4~{R})-~{N}-[[2-[4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-6~{H}-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17141 |  A1IYN |
2 | C56 H71 Br F N11 O9 S | InChI=1S/C56H71BrFN11O9S/ c1-34-46(79-33-60-34)35-9 -10-36(31-59-49(71)42-30- 38(70)32-69(42)51(73)47(5 5(2,3)4)62-52(74)56(58)15 -16-56)44(29-35)77-28-27- 76-26-25-75-24-23-66-19-2 1-67(22-20-66)53-61-41-14 -18-68(17-13-39(41)48(63- 53)65(5)37-11-12-37)54-64 -50(72)45-40(57)7-6-8-43( 45)78-54/h6-10,29,33,37-3 8,42,47,70H,11-28,30-32H2 ,1-5H3,(H,59,71)(H,62,74) /t38-,42+,47-/m1/s1; KFTDDIDLPUPBCQ-VJXNDNPNSA-N |
Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3) c4nc5c(c(n4)N(C)C6CC6)CCN(CC5)C7=NC(=O)c 8c(cccc8Br)O7)CNC(=O)C9CC(CN9C(=O)C(C(C) (C)C)NC(=O)C1(CC1)F)O; Cc1c(scn1)c2ccc(c (c2)OCCOCCOCCN3CCN(CC3)c4nc5c(c(n4)N(C)C 6CC6)CCN(CC5)C7=NC(=O)c8c(cccc8Br)O7)CNC (=O)[C@@H]9C[C@H](CN9C(=O)[C@H](C(C)(C)C )NC(=O)C1(CC1)F)O; CN(C1CC1)c2nc(nc3CCN( CCc23)C4=NC(=O)c5c(Br)cccc5O4)N6CCN(CCOC COCCOc7cc(ccc7CNC(=O)[CH]8C[CH](O)CN8C(= O)[CH](NC(=O)C9(F)CC9)C(C)(C)C)c%10scnc% 10C)CC6; CN(C1CC1)c2nc(nc3CCN(CCc23)C4=N C(=O)c5c(Br)cccc5O4)N6CCN(CCOCCOCCOc7cc( ccc7CNC(=O)[C@@H]8C[C@@H](O)CN8C(=O)[C@@ H](NC(=O)C9(F)CC9)C(C)(C)C)c%10scnc%10C) CC6 |
(2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[7-(5-bromanyl-4-oxidanylidene-2,3-dihydro-1,3-benzoxazin-2-yl)-4-[cyclopropyl(methyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17142 |  A1IYO |
4 | C46 H58 Br F N9 O7 S | InChI=1S/C46H57BrFN9O7S/c 1-28-38(65-27-50-28)29-9- 10-30(23-49-40(59)35-22-3 2(58)26-56(35)42(61)39(45 (2,3)4)51-43(62)46(48)11- 12-46)36(21-29)64-20-19-6 3-18-17-54-13-15-55(16-14 -54)24-31-25-57-34-8-6-7- 33(47)37(34)41(60)52-44(5 7)53(31)5/h6-10,21,25,27, 32,35,39,58H,11-20,22-24, 26H2,1-5H3,(H,49,59)(H,51 ,62)/p+1/t32-,35+,39-/m1/ s1; AFAQQYLJIDYMCN-MNYREFGISA-O |
CN1C(=CN2C1=NC(=O)c3c(Br)cccc23)CN4CC[NH +](CCOCCOc5cc(ccc5CNC(=O)[CH]6C[CH](O)CN 6C(=O)[CH](NC(=O)C7(F)CC7)C(C)(C)C)c8scn c8C)CC4; Cc1c(scn1)c2ccc(c(c2)OCCOCC[NH+ ]3CCN(CC3)CC4=CN5c6cccc(c6C(=O)N=C5N4C)B r)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C )(C)C)NC(=O)C8(CC8)F)O; Cc1c(scn1)c2ccc( c(c2)OCCOCC[NH+]3CCN(CC3)CC4=CN5c6cccc(c 6C(=O)N=C5N4C)Br)CNC(=O)C7CC(CN7C(=O)C(C (C)(C)C)NC(=O)C8(CC8)F)O; CN1C(=CN2C1=NC (=O)c3c(Br)cccc23)CN4CC[NH+](CCOCCOc5cc( ccc5CNC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@ H](NC(=O)C7(F)CC7)C(C)(C)C)c8scnc8C)CC4 |
(2~{S},4~{R})-~{N}-[[2-[2-[2-[4-[(6-bromanyl-3-methyl-5-oxidanylidene-4~{H}-imidazo[1,2-a]quinazolin-2-yl)methyl]piperazin-1-yl]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17143 |  A1IYP |
1 | C23 H26 N2 O2 S | InChI=1S/C23H26N2O2S/c1-2 4(16-20-13-14-25(18-20)17 -19-7-3-2-4-8-19)28(26,27 )23-12-11-21-9-5-6-10-22( 21)15-23/h2-12,15,20H,13- 14,16-18H2,1H3; FNPKLEUPADIGIY-UHFFFAOYSA-N |
CN(C[C@H]1CCN(C1)Cc2ccccc2)S(=O)(=O)c3cc c4ccccc4c3; CN(C[C@H]1CCN(C1)Cc2ccccc2)[ S](=O)(=O)c3ccc4ccccc4c3; CN(C[CH]1CCN(C 1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3; C N(CC1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccc cc4c3 |
~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide |
| 17144 |  A1IYQ |
1 | C23 H26 N2 O2 S | InChI=1S/C23H26N2O2S/c1-2 4(16-20-13-14-25(18-20)17 -19-7-3-2-4-8-19)28(26,27 )23-12-11-21-9-5-6-10-22( 21)15-23/h2-12,15,20H,13- 14,16-18H2,1H3; FNPKLEUPADIGIY-UHFFFAOYSA-N |
CN(C[C@@H]1CCN(C1)Cc2ccccc2)S(=O)(=O)c3c cc4ccccc4c3; CN(C[CH]1CCN(C1)Cc2ccccc2)[ S](=O)(=O)c3ccc4ccccc4c3; CN(CC1CCN(C1)C c2ccccc2)S(=O)(=O)c3ccc4ccccc4c3; CN(C[C @@H]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4c cccc4c3 |
~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide |
| 17145 |  A1IYS |
4 | C9 H18 N4 O4 | InChI=1S/C9H18N4O4/c10-3- 4-17-12-9(15)8-2-1-7(11-1 6)5-13(8)6-14/h6-8,11,16H ,1-5,10H2,(H,12,15)/t7-,8 +/m1/s1; SGDIINYEFNSHTO-SFYZADRCSA-N |
NCCONC(=O)[CH]1CC[CH](CN1C=O)NO; C1CC(N( CC1NO)C=O)C(=O)NOCCN; C1C[C@H](N(C[C@@H] 1NO)C=O)C(=O)NOCCN; NCCONC(=O)[C@@H]1CC[ C@H](CN1C=O)NO |
(2S,5R)-N-(2-azanylethoxy)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide; nacubactam, reacted form |
| 17146 |  A1IYU |
1 | C18 H16 N2 O3 S | InChI=1S/C18H16N2O3S/c1-1 1-5-3-4-6-13(11)19-18-20- 17(22)16(24-18)10-12-7-8- 15(23-2)14(21)9-12/h3-10, 21H,1-2H3,(H,19,20,22)/b1 6-10-; QKTZRWRXURZLED-YBEGLDIGSA-N |
COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3ccccc3C ; Cc1ccccc1/N=C\2/NC(=O)/C(=C/c3ccc(c(c3 )O)OC)/S2; COc1ccc(cc1O)C=C2SC(NC2=O)=Nc 3ccccc3C; Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(c (c3)O)OC)S2 |
(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one |
| 17147 |  A1IYV |
1 | C18 H16 N2 O3 S | InChI=1S/C18H16N2O3S/c1-1 1-4-3-5-13(8-11)19-18-20- 17(22)16(24-18)10-12-6-7- 15(23-2)14(21)9-12/h3-10, 21H,1-2H3,(H,19,20,22)/b1 6-10-; KEFDMGNZNIQUEO-YBEGLDIGSA-N |
Cc1cccc(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3 )O)OC)/S2; COc1ccc(cc1O)\C=C\2SC(NC\2=O) =Nc3cccc(C)c3; Cc1cccc(c1)N=C2NC(=O)C(=C c3ccc(c(c3)O)OC)S2; COc1ccc(cc1O)C=C2SC( NC2=O)=Nc3cccc(C)c3 |
(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one; PEPTIDE DERIVED CHROMOPHORE |
| 17148 |  A1IYW |
1 | C17 H14 N2 O4 S | InChI=1S/C17H14N2O4S/c1-2 3-14-6-5-10(7-13(14)21)8- 15-16(22)19-17(24-15)18-1 1-3-2-4-12(20)9-11/h2-9,2 0-21H,1H3,(H,18,19,22)/b1 5-8-; RCLXDDAOPBWZNU-NVNXTCNLSA-N |
COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)O)S 2; COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(O) c3; COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3ccc c(O)c3; COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/ c3cccc(c3)O)/S2 |
(2~{Z},5~{Z})-2-(3-hydroxyphenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
| 17149 |  A1IYX |
1 | C18 H16 N2 O4 S | InChI=1S/C18H16N2O4S/c1-2 3-13-6-4-12(5-7-13)19-18- 20-17(22)16(25-18)10-11-3 -8-15(24-2)14(21)9-11/h3- 10,21H,1-2H3,(H,19,20,22) /b16-10-; LPLGARBWOKZZFE-YBEGLDIGSA-N |
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O C)S2; COc1ccc(cc1)/N=C\2/NC(=O)/C(=C/c3c cc(c(c3)O)OC)/S2; COc1ccc(cc1)N=C2NC(=O) C(S2)=Cc3ccc(OC)c(O)c3; COc1ccc(cc1)N=C2 NC(=O)/C(S2)=C/c3ccc(OC)c(O)c3 |
(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one |
| 17150 |  A1IYY |
1 | C17 H13 F N2 O3 S | InChI=1S/C17H13FN2O3S/c1- 23-14-6-5-10(7-13(14)21)8 -15-16(22)20-17(24-15)19- 12-4-2-3-11(18)9-12/h2-9, 21H,1H3,(H,19,20,22)/b15- 8-; SRBXBEVOYNFMHC-NVNXTCNLSA-N |
COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(F) c3; COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3 )F)S2; COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccc c(F)c3; COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/ c3cccc(c3)F)/S2 |
(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
| 17151 |  A1IYZ |
1 | C17 H13 Cl N2 O3 S | InChI=1S/C17H13ClN2O3S/c1 -23-14-6-5-10(7-13(14)21) 8-15-16(22)20-17(24-15)19 -12-4-2-3-11(18)9-12/h2-9 ,21H,1H3,(H,19,20,22)/b15 -8-; VZKFIEIQQKDDNW-NVNXTCNLSA-N |
COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3cccc(c 3)Cl)/S2; COc1ccc(cc1O)\C=C\2SC(NC\2=O)= Nc3cccc(Cl)c3; COc1ccc(cc1O)C=C2C(=O)NC( =Nc3cccc(c3)Cl)S2; COc1ccc(cc1O)C=C2SC(N C2=O)=Nc3cccc(Cl)c3 |
(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one; CGP 53820 |
| 17152 |  A1IZ2 |
5 | C33 H41 N9 O7 | InChI=1S/C33H41N9O7/c34-2 8-25-29(39-19-38-28)42(20 -40-25)30-27(44)26(43)24( 49-30)14-8-16-37-32(35)36 -15-7-13-23(31(45)47-17-2 1-9-3-1-4-10-21)41-33(46) 48-18-22-11-5-2-6-12-22/h 1-6,9-12,19-20,23-24,26-2 7,30,43-44H,7-8,13-18H2,( H,41,46)(H2,34,38,39)(H3, 35,36,37)/t23-,24+,26+,27 +,30+/m0/s1; PJQUMOMSXLCGOK-CCJJPLMQSA-N |
c1ccc(cc1)COC(=O)C(CCCNC(=N)NCCCC2C(C(C( O2)n3cnc4c3ncnc4N)O)O)NC(=O)OCc5ccccc5; [H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O 1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C(=O)OC c4ccccc4)NC(=O)OCc5ccccc5; Nc1ncnc2n(cnc 12)[CH]3O[CH](CCCNC(=N)NCCC[CH](NC(=O)OC c4ccccc4)C(=O)OCc5ccccc5)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CCCNC(=N)N CCC[C@H](NC(=O)OCc4ccccc4)C(=O)OCc5ccccc 5)[C@@H](O)[C@H]3O |
(phenylmethyl) (2S)-5-[[N-[3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate |
| 17153 |  A1IZ3 |
1 | C30 H38 F2 N4 O3 | InChI=1S/C30H38F2N4O3/c1- 38-20-22-8-5-12-35(17-22) 13-11-33-30(37)25-16-27-2 3(19-36(34-27)18-21-6-3-2 -4-7-21)14-29(25)39-28-10 -9-24(31)15-26(28)32/h9-1 0,14-16,19,21-22H,2-8,11- 13,17-18,20H2,1H3,(H,33,3 7); OJJHRKPNNTZEQJ-UHFFFAOYSA-N |
COC[CH]1CCCN(CCNC(=O)c2cc3nn(CC4CCCCC4)c c3cc2Oc5ccc(F)cc5F)C1; COC[C@@H]1CCCN(C1 )CCNC(=O)c2cc3c(cc2Oc4ccc(cc4F)F)cn(n3)C C5CCCCC5; COC[C@@H]1CCCN(CCNC(=O)c2cc3nn (CC4CCCCC4)cc3cc2Oc5ccc(F)cc5F)C1; COCC1 CCCN(C1)CCNC(=O)c2cc3c(cc2Oc4ccc(cc4F)F) cn(n3)CC5CCCCC5 |
5-[2,4-bis(fluoranyl)phenoxy]-2-(cyclohexylmethyl)-~{N}-[2-[(3~{R})-3-(methoxymethyl)piperidin-1-yl]ethyl]indazole-6-carboxamide; 2-(cyclohexylmethyl)-5-(2,4-difluorophenoxy)-N-(2-(3-(methoxymethyl)piperidin-1-yl)ethyl)-2H-indazole-6-carboxamide |
| 17154 |  A1IZ4 |
1 | C30 H27 Cl N6 O3 | InChI=1S/C30H27ClN6O3/c31 -25-7-6-23-26(34-25)35-29 (40-23)37-14-12-36(13-15- 37)28(38)18-4-5-22-24(16- 18)39-27(33-22)20-17-32-1 1-8-21(20)30(9-10-30)19-2 -1-3-19/h4-8,11,16-17,19H ,1-3,9-10,12-15H2; MXJHPFWCVCDTIM-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n 5)Cl)oc(n2)c6cnccc6C7(CC7)C8CCC8; Clc1cc c2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4 )c6cnccc6C7(CC7)C8CCC8 |
[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-[4-(1-cyclobutylcyclopropyl)pyridin-3-yl]-1,3-benzoxazol-6-yl]methanone |
| 17155 |  A1IZ5 |
1 | C18 H14 N4 O8 | InChI=1S/C18H14N4O8/c23-8 -10-2-1-9(3-13(10)22(28)2 9)12-5-15(30-21-12)11-4-1 4(24)17(19-6-11)18(27)20- 7-16(25)26/h1-6,23-24H,7- 8H2,(H,20,27)(H,25,26)/q+ 2; XQLYMNCUUWZHKQ-UHFFFAOYSA-N |
c1cc(c(cc1c2cc(on2)c3cc(c(nc3)C(=O)NCC(= O)O)O)[N+2](=O)=O)CO; OCc1ccc(cc1[N++](= O)=O)c2cc(on2)c3cnc(C(=O)NCC(O)=O)c(O)c3 |
2-[[5-[3-[4-(hydroxymethyl)-3-nitro-phenyl]-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
| 17156 |  A1IZ6 CHEMBL5854413 |
1 | C25 H20 N6 O3 | InChI=1S/C25H20N6O3/c32-2 2-18-5-1-2-6-19(18)28-25( 29-22)31-12-10-30(11-13-3 1)24(33)16-7-8-20-21(14-1 6)34-23(27-20)17-4-3-9-26 -15-17/h1-9,14-15H,10-13H 2,(H,28,29,32); NEEKCMPINYYRAZ-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=N2)N3CCN(CC3)C(=O)c4 ccc5c(c4)oc(n5)c6cccnc6; O=C1NC(=Nc2cccc c12)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cccn c6 |
2-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one |
| 17157 |  A1IZ7 |
2 | C23 H18 Cl F N6 O2 | InChI=1S/C23H18ClFN6O2/c1 -2-21(32)30-11-17-18(12-3 0)31(20-8-9-26-13-27-20)2 2(28-17)14-4-3-5-15(10-14 )33-23-16(24)6-7-19(25)29 -23/h3-10,13H,2,11-12H2,1 H3; VLZBIJTVQUIFKO-UHFFFAOYSA-N |
CCC(=O)N1Cc2c(n(c(n2)c3cccc(c3)Oc4c(ccc( n4)F)Cl)c5ccncn5)C1; CCC(=O)N1Cc2nc(n(c2 C1)c3ccncn3)c4cccc(Oc5nc(F)ccc5Cl)c4 |
1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| 17158 |  A1IZ8 |
2 | C25 H18 F2 N6 O2 | InChI=1S/C25H18F2N6O2/c1- 2-23(34)32-10-19-20(11-32 )33(22-6-7-28-12-29-22)25 (31-19)16-8-15(17(26)9-18 (16)27)14-4-3-5-21-24(14) 30-13-35-21/h3-9,12-13H,2 ,10-11H2,1H3; ZGOQCOSBGSMYAX-UHFFFAOYSA-N |
CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4ccc c5c4nco5)c6ccncn6)C1; CCC(=O)N1Cc2nc(n(c 2C1)c3ccncn3)c4cc(c(F)cc4F)c5cccc6ocnc56 |
1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| 17159 |  A1IZ9 |
2 | C23 H18 F2 N6 O | InChI=1S/C23H18F2N6O/c1-2 -22(32)30-11-19-20(12-30) 31(21-7-8-26-13-28-21)23( 29-19)18-9-15(17(25)10-27 -18)14-5-3-4-6-16(14)24/h 3-10,13H,2,11-12H2,1H3; PGZOHCVGSDIBJR-UHFFFAOYSA-N |
CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cn3)F)c4cccc c4F)c5ccncn5)C1; CCC(=O)N1Cc2nc(n(c2C1)c 3ccncn3)c4cc(c(F)cn4)c5ccccc5F |
1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one |
| 17160 |  A1IZA |
13 | C36 H47 F N7 O17 P3 S | InChI=1S/C36H47FN7O17P3S/ c1-20(22-9-10-23(24(37)15 -22)21-7-5-4-6-8-21)35(49 )65-14-13-39-26(45)11-12- 40-33(48)30(47)36(2,3)17- 58-64(55,56)61-63(53,54)5 7-16-25-29(60-62(50,51)52 )28(46)34(59-25)44-19-43- 27-31(38)41-18-42-32(27)4 4/h4-10,15,18-20,25,28-30 ,34,46-47H,11-14,16-17H2, 1-3H3,(H,39,45)(H,40,48)( H,53,54)(H,55,56)(H2,38,4 1,42)(H2,50,51,52)/t20-,2 5+,28+,29+,30-,34+/m0/s1; GFOGIIXIXKGLHP-PJHIEXQGSA-N |
C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)( C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23) c4ccc(c(F)c4)c5ccccc5; C[C@@H](c1ccc(c(c 1)F)c2ccccc2)C(=O)SCCNC(=O)CCNC(=O)[C@@H ](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@ H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(= O)(O)O)O; CC(c1ccc(c(c1)F)c2ccccc2)C(=O) SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(= O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O )(O)O)O; C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n 2cnc3c(N)ncnc23)c4ccc(c(F)c4)c5ccccc5 |
(S)-Flurbiprofenoyl-CoA; ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-fluoranyl-4-phenyl-phenyl)propanethioate |
| 17161 |  A1IZB |
13 | C32 H56 N7 O17 P3 S | InChI=1S/C32H56N7O17P3S/c 1-5-6-7-8-9-10-11-20(2)31 (44)60-15-14-34-22(40)12- 13-35-29(43)26(42)32(3,4) 17-53-59(50,51)56-58(48,4 9)52-16-21-25(55-57(45,46 )47)24(41)30(54-21)39-19- 38-23-27(33)36-18-37-28(2 3)39/h18-21,24-26,30,41-4 2H,5-17H2,1-4H3,(H,34,40) (H,35,43)(H,48,49)(H,50,5 1)(H2,33,36,37)(H2,45,46, 47)/t20-,21-,24+,25+,26-, 30+/m0/s1; IERLRQNOXCBECM-ZWASGNAISA-N |
CCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C @@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O) n2cnc3c(N)ncnc23; CCCCCCCCC(C)C(=O)SCCNC (=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O) OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O )O; CCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(= O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@ H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N) O)OP(=O)(O)O)O; CCCCCCCC[CH](C)C(=O)SCCN C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]( O)(O)=O)n2cnc3c(N)ncnc23 |
(S)-2-methyldecanoyl-CoA; ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyldecanethioate |
| 17162 |  A1IZC |
1 | C25 H22 Cl N3 O5 S | InChI=1S/C25H22ClN3O5S/c1 -3-23(30)29(19-11-14-22(3 4-2)21(26)15-19)24(18-9-1 2-20(13-10-18)35(27,32)33 )25(31)28-16-17-7-5-4-6-8 -17/h1,4-15,24H,16H2,2H3, (H,28,31)(H2,27,32,33)/t2 4-/m1/s1; RIRHXJNXTHMIAC-XMMPIXPASA-N |
COc1ccc(cc1Cl)N([C@@H](c2ccc(cc2)S(=O)(= O)N)C(=O)NCc3ccccc3)C(=O)C#C; COc1ccc(cc 1Cl)N([CH](C(=O)NCc2ccccc2)c3ccc(cc3)[S] (N)(=O)=O)C(=O)C#C; COc1ccc(cc1Cl)N(C(c2 ccc(cc2)S(=O)(=O)N)C(=O)NCc3ccccc3)C(=O) C#C; COc1ccc(cc1Cl)N([C@H](C(=O)NCc2cccc c2)c3ccc(cc3)[S](N)(=O)=O)C(=O)C#C |
~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]prop-2-ynamide; N-(2-(benzylamino)-2-oxo-1-(4-sulfamoylphenyl)ethyl)-N-(3-chloro-4-methoxyphenyl)propiolamide |
| 17163 |  A1IZD |
19 | C37 H48 N7 O18 P3 S | InChI=1S/C37H48N7O18P3S/c 1-21(23-10-7-11-24(16-23) 28(46)22-8-5-4-6-9-22)36( 50)66-15-14-39-26(45)12-1 3-40-34(49)31(48)37(2,3)1 8-59-65(56,57)62-64(54,55 )58-17-25-30(61-63(51,52) 53)29(47)35(60-25)44-20-4 3-27-32(38)41-19-42-33(27 )44/h4-11,16,19-21,25,29- 31,35,47-48H,12-15,17-18H 2,1-3H3,(H,39,45)(H,40,49 )(H,54,55)(H,56,57)(H2,38 ,41,42)(H2,51,52,53)/t21- ,25-,29+,30+,31-,35+/m0/s 1; LSGSFYULVWAIJK-QWSOWZNZSA-N |
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)SCCNC(=O )CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC 3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O; C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C( C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@@H]1O[C @H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c( N)ncnc23)c4cccc(c4)C(=O)c5ccccc5; C[C@@H ](c1cccc(c1)C(=O)c2ccccc2)C(=O)SCCNC(=O) CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O )OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4n cnc5N)O)OP(=O)(O)O)O; C[CH](C(=O)SCCNC(= O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P] (O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)( O)=O)n2cnc3c(N)ncnc23)c4cccc(c4)C(=O)c5c cccc5 |
(S)-ketoprofenoyl-CoA; ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanethioate |
| 17164 |  A1IZH |
4 | C14 H16 N O2 | InChI=1S/C14H15NO2/c16-11 -13-7-4-10-15(13)9-3-6-12 -5-1-2-8-14(12)17/h1-3,5- 6,8-9,11,13H,4,7,10H2/p+1 /t13-/m0/s1; JBRXZQVMNONUDZ-ZDUSSCGKSA-O |
Oc1ccccc1C=CC=[N+]2CCC[CH]2C=O; c1ccc(c( c1)/C=C/C=[N+]\2/CCC[C@H]2C=O)O; Oc1cccc c1\C=C\C=[N+]/2CCC[C@H]/2C=O; c1ccc(c(c1 )C=CC=[N+]2CCCC2C=O)O |
(1~{Z},2~{S})-1-[(~{E})-3-(2-hydroxyphenyl)prop-2-enylidene]-1$l^{4}-azolidine-2-carbaldehyde |
| 17165 |  A1IZI |
5 | C34 H43 N9 O7 | InChI=1S/C34H43N9O7/c1-42 (17-9-15-25-27(44)28(45)3 1(50-25)43-21-40-26-29(35 )38-20-39-30(26)43)33(36) 37-16-8-14-24(32(46)48-18 -22-10-4-2-5-11-22)41-34( 47)49-19-23-12-6-3-7-13-2 3/h2-7,10-13,20-21,24-25, 27-28,31,44-45H,8-9,14-19 H2,1H3,(H2,36,37)(H,41,47 )(H2,35,38,39)/t24-,25+,2 7+,28+,31+/m0/s1; WECWTWHQPVNAAT-CYZHESPZSA-N |
CN(CCCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(=N )NCCCC(C(=O)OCc4ccccc4)NC(=O)OCc5ccccc5; CN(CCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c nc3c(N)ncnc23)C(=N)NCCC[C@H](NC(=O)OCc4c cccc4)C(=O)OCc5ccccc5; CN(CCC[CH]1O[CH]( [CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=N)NCCC [CH](NC(=O)OCc4ccccc4)C(=O)OCc5ccccc5; [ H]/N=C(/NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O )OCc2ccccc2)\N(C)CCC[C@@H]3[C@H]([C@H]([ C@@H](O3)n4cnc5c4ncnc5N)O)O |
(phenylmethyl) (2S)-5-[[N-[3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-N-methyl-carbamimidoyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate |
| 17166 |  A1IZJ CHEMBL5095237 DB21520 |
2 | C34 H36 Cl2 N8 O4 | InChI=1S/C34H36Cl2N8O4/c1 -47-33-27(15-37-13-19-9-1 1-29(45)41-19)39-17-25(43 -33)23-7-3-5-21(31(23)35) 22-6-4-8-24(32(22)36)26-1 8-40-28(34(44-26)48-2)16- 38-14-20-10-12-30(46)42-2 0/h3-8,17-20,37-38H,9-16H 2,1-2H3,(H,41,45)(H,42,46 )/t19-,20-/m0/s1; OIIOPWHTJZYKIL-PMACEKPBSA-N |
COc1nc(cnc1CNC[C@@H]2CCC(=O)N2)c3cccc(c3 Cl)c4cccc(c4Cl)c5cnc(CNC[C@@H]6CCC(=O)N6 )c(OC)n5; COc1c(ncc(n1)c2cccc(c2Cl)c3ccc c(c3Cl)c4cnc(c(n4)OC)CNCC5CCC(=O)N5)CNCC 6CCC(=O)N6; COc1c(ncc(n1)c2cccc(c2Cl)c3c ccc(c3Cl)c4cnc(c(n4)OC)CNC[C@@H]5CCC(=O) N5)CNC[C@@H]6CCC(=O)N6; COc1nc(cnc1CNC[C H]2CCC(=O)N2)c3cccc(c3Cl)c4cccc(c4Cl)c5c nc(CNC[CH]6CCC(=O)N6)c(OC)n5 |
(5~{S})-5-[[[5-[2-chloranyl-3-[2-chloranyl-3-[6-methoxy-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-pyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one |
| 17167 |  A1IZK |
1 | C21 H24 N2 O2 | InChI=1S/C21H24N2O2/c1-16 -15-19(9-10-20(16)18-7-4- 3-5-8-18)21(25)23-12-6-11 -22(13-14-23)17(2)24/h3-5 ,7-10,15H,6,11-14H2,1-2H3; FIBAYMYQCFMKFA-UHFFFAOYSA-N |
CC(=O)N1CCCN(CC1)C(=O)c2ccc(c(C)c2)c3ccc cc3; Cc1cc(ccc1c2ccccc2)C(=O)N3CCCN(CC3) C(=O)C |
1-[4-(3-methyl-4-phenyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanone |
| 17168 |  A1IZL |
1 | C5 H10 O5 | InChI=1S/C5H10O5/c6-2-5(9 )4(8)3(7)1-10-5/h3-4,6-9H ,1-2H2/t3-,4-,5+/m1/s1; LQXVFWRQNMEDEE-WDCZJNDASA-N |
C1[C@H]([C@H]([C@@](O1)(CO)O)O)O; C1C(C( C(O1)(CO)O)O)O; OC[C]1(O)OC[CH](O)[CH]1O ; OC[C@]1(O)OC[C@@H](O)[C@H]1O |
(2~{S},3~{R},4~{R})-2-(hydroxymethyl)oxolane-2,3,4-triol |
| 17169 |  A1IZM |
4 | C13 H7 F2 N O5 | InChI=1S/C13H7F2NO5/c14-7 -2-1-3-8(15)11(7)12(18)6- 4-9(16(20)21)13(19)10(17) 5-6/h1-5,17,19H; IGCMBTUXZXDHQQ-UHFFFAOYSA-N |
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2c(F)ccc c2F; c1cc(c(c(c1)F)C(=O)c2cc(c(c(c2)O)O) [N+](=O)[O-])F |
[2,6-bis(fluoranyl)phenyl]-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone |
| 17170 |  A1IZN |
4 | C29 H29 N3 O7 | InChI=1S/C29H29N3O7/c1-36 -24-14-22-23(30-16-21-5-3 -11-32(21)28(22)34)15-25( 24)38-12-4-6-27(33)31-20- 9-7-18(8-10-20)19-13-26(3 9-17-19)29(35)37-2/h7-10, 13-17,21H,3-6,11-12H2,1-2 H3,(H,31,33)/t21-/m0/s1; SBCBEBUCXIOICC-NRFANRHFSA-N |
COC(=O)c1occ(c1)c2ccc(NC(=O)CCCOc3cc4N=C [CH]5CCCN5C(=O)c4cc3OC)cc2; COc1cc2c(cc1 OCCCC(=O)Nc3ccc(cc3)c4cc(oc4)C(=O)OC)N=C C5CCCN5C2=O; COc1cc2c(cc1OCCCC(=O)Nc3ccc (cc3)c4cc(oc4)C(=O)OC)N=C[C@@H]5CCCN5C2= O; COC(=O)c1occ(c1)c2ccc(NC(=O)CCCOc3cc4 N=C[C@@H]5CCCN5C(=O)c4cc3OC)cc2 |
methyl 4-[4-[4-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]furan-2-carboxylate; (5S)-N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[2-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide |
| 17171 |  A1IZO |
5 | C57 H42 O48 S12 | InChI=1S/C57H42O48S12/c58 -106(59,60)94-46-22-52(10 0-112(76,77)78)40-16-34(4 6)13-36-18-42(54(102-114( 82,83)84)24-48(36)96-108( 64,65)66)30-5-7-32(8-6-30 )44-20-38(50(98-110(70,71 )72)26-56(44)104-116(88,8 9)90)15-39-21-45(57(105-1 17(91,92)93)27-51(39)99-1 11(73,74)75)33-11-9-31(10 -12-33)43-19-37(49(97-109 (67,68)69)25-55(43)103-11 5(85,86)87)14-35-17-41(29 -2-1-28(40)3-4-29)53(101- 113(79,80)81)23-47(35)95- 107(61,62)63/h1-12,16-27H ,13-15H2,(H,58,59,60)(H,6 1,62,63)(H,64,65,66)(H,67 ,68,69)(H,70,71,72)(H,73, 74,75)(H,76,77,78)(H,79,8 0,81)(H,82,83,84)(H,85,86 ,87)(H,88,89,90)(H,91,92, 93); LVXLICATRYFFND-UHFFFAOYSA-N |
O[S](=O)(=O)Oc1cc(O[S](O)(=O)=O)c2cc1Cc3 cc(c(O[S](O)(=O)=O)cc3O[S](O)(=O)=O)c4cc c(cc4)c5cc(Cc6cc(c(O[S](O)(=O)=O)cc6O[S] (O)(=O)=O)c7ccc(cc7)c8cc(Cc9cc(c(O[S](O) (=O)=O)cc9O[S](O)(=O)=O)c%10ccc2cc%10)c( O[S](O)(=O)=O)cc8O[S](O)(=O)=O)c(O[S](O) (=O)=O)cc5O[S](O)(=O)=O; c1cc-2ccc1-c3cc (c(cc3OS(=O)(=O)O)OS(=O)(=O)O)Cc4cc(c(cc 4OS(=O)(=O)O)OS(=O)(=O)O)-c5ccc(cc5)-c6c c(c(cc6OS(=O)(=O)O)OS(=O)(=O)O)Cc7cc(c(c c7OS(=O)(=O)O)OS(=O)(=O)O)-c8ccc(cc8)-c9 cc(c(cc9OS(=O)(=O)O)OS(=O)(=O)O)Cc1cc2c( cc1OS(=O)(=O)O)OS(=O)(=O)O |
sulfato-terphen[3]arene complex |
| 17172 |  A1IZP |
2 | C41 H41 N7 O4 | InChI=1S/C41H41N7O4/c1-24 -32(5-3-7-34(24)40-46-36- 17-26(15-30(18-42)38(36)5 2-40)20-47-13-10-29(22-47 )41(50)51)33-6-4-8-35(25( 33)2)45-39-37-28(9-12-43- 39)16-27(19-44-37)21-48-1 4-11-31(49)23-48/h3-9,12, 15-19,29,31,42,49H,10-11, 13-14,20-23H2,1-2H3,(H,43 ,45)(H,50,51)/b42-18+/t29 -,31-/m1/s1; QEBUICJDDPRIEV-KXINHMPDSA-N |
Cc1c(Nc2nccc3cc(CN4CC[CH](O)C4)cnc23)ccc c1c5cccc(c5C)c6oc7c(C=N)cc(CN8CC[CH](C8) C(O)=O)cc7n6; Cc1c(cccc1c2nc3cc(cc(c3o2) C=N)CN4CCC(C4)C(=O)O)c5cccc(c5C)Nc6c7c(c cn6)cc(cn7)CN8CCC(C8)O; Cc1c(Nc2nccc3cc( CN4CC[C@@H](O)C4)cnc23)cccc1c5cccc(c5C)c 6oc7c(C=N)cc(CN8CC[C@H](C8)C(O)=O)cc7n6; [H]/N=C/c1cc(cc2c1oc(n2)c3cccc(c3C)c4cc cc(c4C)Nc5c6c(ccn5)cc(cn6)CN7CC[C@H](C7) O)CN8CC[C@H](C8)C(=O)O |
(3~{R})-1-[[7-(iminomethyl)-2-[2-methyl-3-[2-methyl-3-[[3-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid |
| 17173 |  A1IZQ |
1 | C9 H8 Cl N3 O2 | InChI=1S/C9H8ClN3O2/c10-4 -8(15)12-6-3-7(14)13-9-5( 6)1-2-11-9/h1-3H,4H2,(H3, 11,12,13,14,15); XXEKOFCFHLZMHG-UHFFFAOYSA-N |
c1c[nH]c2c1C(=CC(=O)N2)NC(=O)CCl; ClCC(= O)NC1=CC(=O)Nc2[nH]ccc12 |
2-chloranyl-~{N}-(6-oxidanylidene-1,7-dihydropyrrolo[2,3-b]pyridin-4-yl)ethanamide |
| 17174 |  A1IZR |
4 | C16 H15 Cl2 N3 O3 S | InChI=1S/C16H15Cl2N3O3S/c 1-8(2)9-3-4-13-14(5-9)25( 23,24)21-16(20-13)19-10-6 -11(17)15(22)12(18)7-10/h 3-8,22H,1-2H3,(H2,19,20,2 1); MZBADMWUAMNYAJ-UHFFFAOYSA-N |
CC(C)c1ccc2NC(=N[S](=O)(=O)c2c1)Nc3cc(Cl )c(O)c(Cl)c3; CC(C)c1ccc2c(c1)S(=O)(=O)N =C(N2)Nc3cc(c(c(c3)Cl)O)Cl |
4-[[1,1-bis(oxidanylidene)-7-propan-2-yl-4~{H}-1$l^{6},2,4-benzothiadiazin-3-yl]amino]-2,6-bis(chloranyl)phenol |
| 17175 |  A1IZU |
1 | C20 H18 N4 O2 | InChI=1S/C20H18N4O2/c1-12 -11-14(16-5-4-9-24-10-8-2 1-18(16)24)6-7-15(12)17-1 3(2)19(25)22-20(26)23(17) 3/h4-11H,1-3H3,(H,22,25,2 6); XXHWLMSGTGVHDA-UHFFFAOYSA-N |
CN1C(=O)NC(=O)C(=C1c2ccc(cc2C)c3cccn4ccn c34)C; Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)c 3cccn4c3ncc4 |
6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione |
| 17176 |  A1IZV |
1 | C18 H13 F N4 O4 | InChI=1S/C18H13FN4O4/c1-9 -15(23(2)18(25)22-16(9)24 )14-12(19)7-10(8-21-14)27 -17-11-4-6-26-13(11)3-5-2 0-17/h3-8H,1-2H3,(H,22,24 ,25); WKGHWLZQBUXSNO-UHFFFAOYSA-N |
CC1=C(N(C(=O)NC1=O)C)c2c(cc(cn2)Oc3c4cco c4ccn3)F; CN1C(=O)NC(=O)C(=C1c2ncc(Oc3nc cc4occc34)cc2F)C |
6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione |
| 17177 |  A1IZW |
4 | C30 H27 N7 O3 | InChI=1S/C30H27N7O3/c1-40 -22-7-4-6-19(16-22)24-17- 20(29(38)39)11-12-26(24)3 4-30-33-25-9-3-2-8-23(25) 28(35-30)32-21-13-15-37(1 8-21)27-10-5-14-31-36-27/ h2-12,14,16-17,21H,13,15, 18H2,1H3,(H,38,39)(H2,32, 33,34,35)/t21-/m0/s1; XNJZVBNFJBRELF-NRFANRHFSA-N |
COc1cccc(c1)c2cc(ccc2Nc3nc4ccccc4c(n3)NC 5CCN(C5)c6cccnn6)C(=O)O; COc1cccc(c1)c2c c(ccc2Nc3nc(N[CH]4CCN(C4)c5cccnn5)c6cccc c6n3)C(O)=O; COc1cccc(c1)c2cc(ccc2Nc3nc4 ccccc4c(n3)N[C@H]5CCN(C5)c6cccnn6)C(=O)O ; COc1cccc(c1)c2cc(ccc2Nc3nc(N[C@H]4CCN( C4)c5cccnn5)c6ccccc6n3)C(O)=O |
3-(3-methoxyphenyl)-4-[[4-[[(3~{S})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]quinazolin-2-yl]amino]benzoic acid |
| 17178 |  A1IZX |
2 | C26 H22 F4 N4 O2 | InChI=1S/C26H22F4N4O2/c1- 13(2)14-7-9-21-18(11-14)2 3(31-3)34-25(33-21)32-20- 10-8-15(24(35)36)12-17(20 )16-5-4-6-19(22(16)27)26( 28,29)30/h4-13H,1-3H3,(H, 35,36)(H2,31,32,33,34); NVXLCRYRBAZDFU-UHFFFAOYSA-N |
CC(C)c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3c4cccc (c4F)C(F)(F)F)C(=O)O)NC; CNc1nc(Nc2ccc(c c2c3cccc(c3F)C(F)(F)F)C(O)=O)nc4ccc(cc14 )C(C)C |
3-[2-fluoranyl-3-(trifluoromethyl)phenyl]-4-[[4-(methylamino)-6-propan-2-yl-quinazolin-2-yl]amino]benzoic acid |
| 17179 |  A1IZY |
1 | C28 H25 Cl N6 O3 | InChI=1S/C28H25ClN6O3/c29 -24-8-7-22-25(32-24)33-28 (38-22)35-13-11-34(12-14- 35)27(36)18-5-6-21-23(15- 18)37-26(31-21)20-16-30-1 0-9-19(20)17-3-1-2-4-17/h 5-10,15-17H,1-4,11-14H2; RKCIAPWMPDOONC-UHFFFAOYSA-N |
Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc (oc5c4)c6cnccc6C7CCCC7; c1cc2c(cc1C(=O)N 3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnc cc6C7CCCC7 |
[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone |
| 17180 |  A1IZZ |
2 | C21 H28 Cl N5 O9 P2 | InChI=1S/C21H28ClN5O9P2/c 1-2-8-26(9-13-6-4-3-5-7-1 3)18-15-19(25-21(22)24-18 )27(11-23-15)20-17(29)16( 28)14(36-20)10-35-38(33,3 4)12-37(30,31)32/h3-7,11, 14,16-17,20,28-29H,2,8-10 ,12H2,1H3,(H,33,34)(H2,30 ,31,32)/t14-,16-,17-,20-/ m1/s1; YGTUYBSXPYTNNM-WVSUBDOOSA-N |
CCCN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[C@@H] 4O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@H]( O)[C@H]4O; CCCN(Cc1ccccc1)c2nc(Cl)nc3n(c nc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O )[CH](O)[CH]4O; CCCN(Cc1ccccc1)c2c3c(nc( n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4 )COP(=O)(CP(=O)(O)O)O)O)O; CCCN(Cc1ccccc 1)c2c3c(nc(n2)Cl)n(cn3)C4C(C(C(O4)COP(=O )(CP(=O)(O)O)O)O)O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(phenylmethyl)-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 17181 |  A1J |
4 | C9 H13 B N O9 P S | InChI=1S/C9H13BNO9PS/c12- 9(13)8-3-1-2-7(4-8)5-22(1 8,19)11-6-10(14)20-21(15, 16)17/h1-4,11,14H,5-6H2,( H,12,13)(H2,15,16,17); SEUMVDPBYULKQH-UHFFFAOYSA-N |
B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O) (O)O; OB(CN[S](=O)(=O)Cc1cccc(c1)C(O)=O) O[P](O)(O)=O; c1ccc(CS(=O)(NCB(OP(O)(O)= O)O)=O)cc1C(O)=O |
3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid |
| 17182 |  A1J0C |
0 | C47 H65 N9 O16 | InChI=1S/C47H65N9O16/c57- 38(28-53-19-21-54(29-40(6 0)61)23-25-56(31-42(64)65 )26-24-55(22-20-53)30-41( 62)63)49-27-33-12-14-34(1 5-13-33)43(66)50-35(11-6- 9-32-7-2-1-3-8-32)44(67)4 8-18-5-4-10-36(45(68)69)5 1-47(72)52-37(46(70)71)16 -17-39(58)59/h1-3,6-9,12- 15,35-37H,4-5,10-11,16-31 H2,(H,48,67)(H,49,57)(H,5 0,66)(H,58,59)(H,60,61)(H ,62,63)(H,64,65)(H,68,69) (H,70,71)(H2,51,52,72)/b9 -6+/t35-,36-,37-/m0/s1; KQDHLJZGINFOLD-SJGZIRDESA-N |
c1ccc(cc1)C=CCC(C(=O)NCCCCC(C(=O)O)NC(=O )NC(CCC(=O)O)C(=O)O)NC(=O)c2ccc(cc2)CNC( =O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC (=O)O; c1ccc(cc1)/C=C/C[C@@H](C(=O)NCCCC [C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(= O)O)NC(=O)c2ccc(cc2)CNC(=O)CN3CCN(CCN(CC N(CC3)CC(=O)O)CC(=O)O)CC(=O)O; OC(=O)CC[ C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](C\C=C \c1ccccc1)NC(=O)c2ccc(CNC(=O)CN3CCN(CCN( CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)cc2)C(O) =O)C(O)=O; OC(=O)CC[CH](NC(=O)N[CH](CCCC NC(=O)[CH](CC=Cc1ccccc1)NC(=O)c2ccc(CNC( =O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC (O)=O)cc2)C(O)=O)C(O)=O |
(((S)-1-carboxy-5-((S,E)-5-phenyl-2-(4-((2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetamido)methyl)benzamido)pent-4-enamido)pentyl)carbamoyl)-L-glutamic acid |
| 17183 |  A1J0G |
0 | C7 H13 N O4 | InChI=1S/C7H13NO4/c1-7(2, 3-4(9)10)5(8)6(11)12/h5H, 3,8H2,1-2H3,(H,9,10)(H,11 ,12)/t5-/m1/s1; KZIOHCWMCYWCOS-RXMQYKEDSA-N |
CC(C)(CC(=O)O)[C@@H](C(=O)O)N; CC(C)(CC( O)=O)[CH](N)C(O)=O; CC(C)(CC(O)=O)[C@H]( N)C(O)=O; CC(C)(CC(=O)O)C(C(=O)O)N |
dimethyl-glutamic acid |
| 17184 |  A1J0V |
1 | C10 H14 N6 O2 | InChI=1S/C10H14N6O2/c11-9 -8-10(14-4-13-9)16(5-15-8 )7-2-12-1-6(3-17)18-7/h4- 7,12,17H,1-3H2,(H2,11,13, 14)/t6-,7+/m0/s1; BYMMQFFKVVGQKW-NKWVEPMBSA-N |
Nc1ncnc2n(cnc12)[C@H]3CNC[C@@H](CO)O3; c 1nc(c2c(n1)n(cn2)C3CNCC(O3)CO)N; c1nc(c2 c(n1)n(cn2)[C@H]3CNC[C@H](O3)CO)N; Nc1nc nc2n(cnc12)[CH]3CNC[CH](CO)O3 |
[(2~{S},6~{R})-6-(6-aminopurin-9-yl)morpholin-2-yl]methanol |
| 17185 |  A1J16 |
0 | C3 H8 N2 O | InChI=1S/C3H8N2O/c1-5-3(6 )2-4/h2,4H2,1H3,(H,5,6); UUYDPHCMCYSNAY-UHFFFAOYSA-N |
CNC(=O)CN | 2-azanyl-~{N}-methyl-ethanamide |
| 17186 |  A1J2J |
1 | C39 H58 O4 | InChI=1S/C39H58O4/c1-28(2 )16-11-17-29(3)18-12-19-3 0(4)20-13-21-31(5)22-14-2 3-32(6)24-15-25-33(7)26-2 7-35-34(8)36(40)38(42-9)3 9(43-10)37(35)41/h16,18,2 0,22,24,26H,11-15,17,19,2 1,23,25,27H2,1-10H3/b29-1 8?,30-20?,31-22?,32-24?,3 3-26+; GXNFPEOUKFOTKY-YSWHJMGVSA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCC =C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC= C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; C OC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; CC1= C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
Ubiquinone-6; 2-[(2E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione |
| 17187 |  A1JA0 |
1 | C27 H24 O8 S4 | InChI=1S/C27H24O8S4/c1-34 -18-11-20-14(7-22(38-20)1 6(28)3-5-26(30)31)9-24(18 )36-13-37-25-10-15-8-23(1 7(29)4-6-27(32)33)39-21(1 5)12-19(25)35-2/h7-12H,3- 6,13H2,1-2H3,(H,30,31)(H, 32,33); NGJBOFBFUVNHEM-UHFFFAOYSA-N |
COc1cc2c(cc1SCSc3cc4cc(sc4cc3OC)C(=O)CCC (=O)O)cc(s2)C(=O)CCC(=O)O; COc1cc2sc(cc2 cc1SCSc3cc4cc(sc4cc3OC)C(=O)CCC(O)=O)C(= O)CCC(O)=O |
4-[6-methoxy-5-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzothiophen-5-yl]sulfanylmethylsulfanyl]-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid |
| 17188 |  A1JA1 |
1 | C34 H47 Cl2 N5 O2 | InChI=1S/C34H47Cl2N5O2/c1 -24(42)38-21-25-2-8-39(9- 3-25)22-26-14-27(16-30(15 -26)31-17-32(35)19-33(36) 18-31)23-40-10-4-28(5-11- 40)29-6-12-41(13-7-29)34( 43)20-37/h14-19,25,28-29H ,2-13,20-23,37H2,1H3,(H,3 8,42); OMGCBULJCZIGPC-UHFFFAOYSA-N |
CC(=O)NCC1CCN(CC1)Cc2cc(cc(c2)c3cc(cc(c3 )Cl)Cl)CN4CCC(CC4)C5CCN(CC5)C(=O)CN; CC( =O)NC[CH]1CCN(CC1)Cc2cc(CN3CC[CH](CC3)C4 CCN(CC4)C(=O)CN)cc(c2)c5cc(Cl)cc(Cl)c5; CC(=O)NC[C@@H]1CCN(CC1)Cc2cc(CN3CC[C@H]( CC3)C4CCN(CC4)C(=O)CN)cc(c2)c5cc(Cl)cc(C l)c5 |
~{N}-[[1-[[3-[[4-[1-(2-azanylethanoyl)piperidin-4-yl]piperidin-1-yl]methyl]-5-[3,5-bis(chloranyl)phenyl]phenyl]methyl]piperidin-4-yl]methyl]ethanamide |
| 17189 |  A1JA2 |
1 | C32 H34 Cl2 N6 | InChI=1S/C32H34Cl2N6/c33- 29-20-28(21-30(34)22-29)2 7-18-25(23-37-9-13-39(14- 10-37)31-1-5-35-6-2-31)17 -26(19-27)24-38-11-15-40( 16-12-38)32-3-7-36-8-4-32 /h1-8,17-22H,9-16,23-24H2; IFPHOKXTHCEYJO-UHFFFAOYSA-N |
Clc1cc(Cl)cc(c1)c2cc(CN3CCN(CC3)c4ccncc4 )cc(CN5CCN(CC5)c6ccncc6)c2; c1cnccc1N2CC N(CC2)Cc3cc(cc(c3)c4cc(cc(c4)Cl)Cl)CN5CC N(CC5)c6ccncc6 |
1-[[3-[3,5-bis(chloranyl)phenyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]methyl]-4-pyridin-4-yl-piperazine |
| 17190 |  A1JA3 |
1 | C31 H37 Cl2 N5 O | InChI=1S/C31H37Cl2N5O/c1- 23(39)35-20-24-4-8-36(9-5 -24)21-25-14-26(16-27(15- 25)28-17-29(32)19-30(33)1 8-28)22-37-10-12-38(13-11 -37)31-2-6-34-7-3-31/h2-3 ,6-7,14-19,24H,4-5,8-13,2 0-22H2,1H3,(H,35,39); SNVXMRYCRVZGRY-UHFFFAOYSA-N |
CC(=O)NCC1CCN(CC1)Cc2cc(cc(c2)c3cc(cc(c3 )Cl)Cl)CN4CCN(CC4)c5ccncc5; CC(=O)NCC1CC N(CC1)Cc2cc(CN3CCN(CC3)c4ccncc4)cc(c2)c5 cc(Cl)cc(Cl)c5 |
~{N}-[[1-[[3-[3,5-bis(chloranyl)phenyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]methyl]ethanamide |
| 17191 |  A1JA4 |
1 | C30 H38 Cl2 N2 O4 | InChI=1S/C30H38Cl2N2O4/c1 -37-29(35)14-21-3-7-33(8- 4-21)19-23-11-24(13-25(12 -23)26-16-27(31)18-28(32) 17-26)20-34-9-5-22(6-10-3 4)15-30(36)38-2/h11-13,16 -18,21-22H,3-10,14-15,19- 20H2,1-2H3; NDWSEVGIFGROAW-UHFFFAOYSA-N |
COC(=O)C[CH]1CCN(CC1)Cc2cc(CN3CC[CH](CC3 )CC(=O)OC)cc(c2)c4cc(Cl)cc(Cl)c4; COC(=O )CC1CCN(CC1)Cc2cc(cc(c2)c3cc(cc(c3)Cl)Cl )CN4CCC(CC4)CC(=O)OC; COC(=O)C[C@@H]1CCN (CC1)Cc2cc(CN3CC[C@@H](CC3)CC(=O)OC)cc(c 2)c4cc(Cl)cc(Cl)c4 |
methyl 2-[1-[[3-[3,5-bis(chloranyl)phenyl]-5-[[4-(2-methoxy-2-oxidanylidene-ethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanoate |
| 17192 |  A1JA5 |
1 | C32 H41 Cl2 F3 N4 O | InChI=1S/C32H41Cl2F3N4O/c 33-29-16-28(17-30(34)18-2 9)27-14-23(20-40-9-3-22(4 -10-40)19-39-31(42)32(35, 36)37)13-24(15-27)21-41-1 1-5-26(6-12-41)25-1-7-38- 8-2-25/h13-18,22,25-26,38 H,1-12,19-21H2,(H,39,42); OEDBVRNUMCXGJG-UHFFFAOYSA-N |
c1c(cc(cc1CN2CCC(CC2)C3CCNCC3)c4cc(cc(c4 )Cl)Cl)CN5CCC(CC5)CNC(=O)C(F)(F)F; FC(F) (F)C(=O)NC[CH]1CCN(CC1)Cc2cc(CN3CC[CH](C C3)C4CCNCC4)cc(c2)c5cc(Cl)cc(Cl)c5; FC(F )(F)C(=O)NC[C@@H]1CCN(CC1)Cc2cc(CN3CC[C@ H](CC3)C4CCNCC4)cc(c2)c5cc(Cl)cc(Cl)c5 |
~{N}-[[1-[[3-[3,5-bis(chloranyl)phenyl]-5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]methyl]-2,2,2-tris(fluoranyl)ethanamide |
| 17193 |  A1JA6 |
1 | C32 H45 Cl2 N5 O | InChI=1S/C32H45Cl2N5O/c1- 24(40)35-21-25-3-9-37(10- 4-25)22-26-15-27(17-28(16 -26)29-18-30(33)20-31(34) 19-29)23-38-11-13-39(14-1 2-38)32-5-7-36(2)8-6-32/h 15-20,25,32H,3-14,21-23H2 ,1-2H3,(H,35,40); CZHJIRYUHXUOHG-UHFFFAOYSA-N |
CC(=O)NCC1CCN(CC1)Cc2cc(cc(c2)c3cc(cc(c3 )Cl)Cl)CN4CCN(CC4)C5CCN(CC5)C; CN1CCC(CC 1)N2CCN(CC2)Cc3cc(CN4CCC(CC4)CNC(C)=O)cc (c3)c5cc(Cl)cc(Cl)c5 |
~{N}-[[1-[[3-[3,5-bis(chloranyl)phenyl]-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]methyl]ethanamide |
| 17194 |  A1JA7 |
0 | C29 H51 N5 O21 | InChI=1S/C29H51N5O21/c1-7 (39)33-12-8(3-35)49-26(54 -23-16(43)24(34-28(30)31) 48-11(6-38)20(23)55-29(32 )46)17(44)21(12)52-27-18( 45)22(13(40)9(4-36)50-27) 53-25-15(42)14(41)19(47-2 )10(5-37)51-25/h8-27,35-3 8,40-45H,3-6H2,1-2H3,(H2, 32,46)(H,33,39)(H4,30,31, 34)/t8-,9-,10-,11+,12-,13 +,14-,15-,16-,17-,18-,19+ ,20+,21+,22+,23-,24+,25+, 26+,27+/m1/s1; IDNIPLSFYFMZQT-LORGCGRJSA-N |
CC(=O)NC1C(OC(C(C1OC2C(C(C(C(O2)CO)O)OC3 C(C(C(C(O3)CO)OC)O)O)O)O)OC4C(C(OC(C4OC( =O)N)CO)NC(=N)N)O)CO; [H]/N=C(/N)\N[C@@H ]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)OC(=O) N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO )NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H] (O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H] (O4)CO)OC)O)O)O)O)O; CO[CH]1[CH](O)[CH]( O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](CO)O[C H](O[CH]3[CH](O)[CH](O[CH](CO)[CH]3NC(C) =O)O[CH]4[CH](O)[CH](NC(N)=N)O[CH](CO)[C H]4OC(N)=O)[CH]2O; CO[C@@H]1[C@H](O)[C@@ H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@@H](O)[ C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@@H] (O[C@H](CO)[C@H]3NC(C)=O)O[C@@H]4[C@@H]( O)[C@@H](NC(N)=N)O[C@@H](CO)[C@@H]4OC(N) =O)[C@@H]2O |
[(2~{S},3~{S},4~{R},5~{R},6~{S})-4-[(2~{S},3~{R},4~{S},5~{R},6~{S})-5-acetamido-6-(hydroxymethyl)-4-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-6-carbamimidamido-2-(hydroxymethyl)-5-oxidanyl-oxan-3-yl] carbamate |
| 17195 |  A1JAD |
1 | H2 Mn O61 P2 W17 | InChI=1S/Mn.2HO4P.53O.17W /c;2*1-5(2,3)4;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;/h;2*5H;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;/q;+4;+5;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;; IJYRNUIESFHHEN-UHFFFAOYSA-N |
O=[W]1234O[Mn]56O[W]78(=O)(O1)[O+]2P91[O +]2[W]%10%11(=O)(O5)O[W]5%12(=O)(O6)[O+] 9[W]6(=O)(O7)(O5)O[W]57(=O)(O8)[O+]1[W]1 (=O)(O3)(O5)O[W]2(=O)(O4)(O%10)O[W]234(= O)O[W]58(=O)(O%11)[O+]2P29[O+]%10[W]%11( =O)(O%12)(O5)O[W]%105(=O)(O6)O[W]6%10(=O )(O7)[O+]2[W](=O)(O1)(O3)(O6)O[W]12(=O)( O4)[O+2]93[W](=O)(O8)(O%11)(O1)O[W]3(=O) (O5)(O%10)O2; O=[W]1234O[Mn]56O[W]78(=O) (O1)O[W]9%10%11(=O)O[W]%12%13(=O)(O5)O[W ]%14%15(=O)(O6)O[W]%16%17(=O)(O2)O[W]%18 %19(=O)(O3)O[W](=O)(O7)(O9)(O[W]%20%21%2 2(=O)O[W]%23%24(=O)(O%10)O[W]%25%26(=O)( O%12)O[W]%27%28(=O)(O%14)O[W]%29%30(=O)( O%16)O[W]%31(=O)(O%18)(O%20)O[W]%32%33(= O)(O%29)O[W]%34(=O)(O%27)(O%25)O[W](=O)( O%23)(O%21)(O%32)[O++]%33%34[PH]([O+]%28 %30)([O+]%24%26)[O+]%22%31)[O+]%19[PH]([ O+]48)([O+]%15%17)[O+]%11%13 |
Manganese substituted Wells-Dawson polyoxometalate |
| 17196 |  A1JAE |
4 | C35 H40 Cl2 N4 O8 | InChI=1S/C35H40Cl2N4O8/c1 -49-30-12-23(9-10-24(30)1 5-40-35(19-45,20-46)21-47 )25-4-2-5-26(31(25)36)27- 6-3-7-28(32(27)37)41-33(4 8)29-11-8-22(13-38-29)14- 39-34(16-42,17-43)18-44/h 2-13,39-40,42-47H,14-21H2 ,1H3,(H,41,48); MMYCKRBDDQKLBL-UHFFFAOYSA-N |
COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3c ccc(c3Cl)NC(=O)c4ccc(cn4)CNC(CO)(CO)CO; COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3c ccc(NC(=O)c4ccc(CNC(CO)(CO)CO)cn4)c3Cl |
~{N}-[2-chloranyl-3-[2-chloranyl-3-[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-3-methoxy-phenyl]phenyl]phenyl]-5-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]pyridine-2-carboxamide |
| 17197 |  A1JAF |
1 | C18 H20 N10 O | InChI=1S/C18H20N10O/c1-9- 11(7-28(4)26-9)23-18-15(1 6(19)29)24-14(17(20-2)25- 18)10-5-21-6-12-13(10)22- 8-27(12)3/h5-8H,1-4H3,(H2 ,19,29)(H2,20,23,25); BUGHKAJGIGJJGX-UHFFFAOYSA-N |
Cc1c(cn(n1)C)Nc2c(nc(c(n2)NC)c3cncc4c3nc n4C)C(=O)N; CNc1nc(Nc2cn(C)nc2C)c(nc1c3c ncc4n(C)cnc34)C(N)=O |
3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide |
| 17198 |  A1JAI |
0 | C35 H64 N8 O21 | InChI=1S/C35H64N8O21/c1-1 2(48)42-17-13(8-44)58-31( 63-28-21(52)29(57-16(11-4 7)25(28)64-35(38)55)43-34 (37)41-7-5-4-6-40-33(36)3 9-2)22(53)26(17)61-32-23( 54)27(18(49)14(9-45)59-32 )62-30-20(51)19(50)24(56- 3)15(10-46)60-30/h13-32,4 4-47,49-54H,4-11H2,1-3H3, (H2,38,55)(H,42,48)(H3,36 ,39,40)(H3,37,41,43)/t13- ,14-,15-,16+,17-,18+,19-, 20-,21-,22-,23-,24+,25+,2 6+,27+,28-,29+,30+,31+,32 +/m1/s1; AEUZWXFILCTIFJ-KFUOLALQSA-N |
CNC(=N)NCCCCNC(=N)N[C@H]1O[C@@H](CO)[C@H ](OC(N)=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H] (NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O )[C@H](O[C@@H]4O[C@H](CO)[C@H](OC)[C@H]( O)[C@H]4O)[C@H]3O)[C@H]2O)[C@H]1O; CC(=O )NC1C(OC(C(C1OC2C(C(C(C(O2)CO)O)OC3C(C(C (C(O3)CO)OC)O)O)O)O)OC4C(C(OC(C4OC(=O)N) CO)NC(=N)NCCCCNC(=N)NC)O)CO; CNC(=N)NCCC CNC(=N)N[CH]1O[CH](CO)[CH](OC(N)=O)[CH]( O[CH]2O[CH](CO)[CH](NC(C)=O)[CH](O[CH]3O [CH](CO)[CH](O)[CH](O[CH]4O[CH](CO)[CH]( OC)[CH](O)[CH]4O)[CH]3O)[CH]2O)[CH]1O; [ H]/N=C(\NC)/NCCCCN/C(=N/[H])/N[C@@H]1[C@ @H]([C@H]([C@H]([C@@H](O1)CO)OC(=O)N)O[C @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)NC(= O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C O)OC)O)O)O)O)O |
[(2~{S},3~{S},4~{R},5~{R},6~{S})-4-[(2~{S},3~{R},4~{S},5~{R},6~{S})-5-acetamido-6-(hydroxymethyl)-4-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-2-(hydroxymethyl)-6-[[~{N}-[4-[(~{N}-methylcarbamimidoyl)amino]butyl]carbamimidoyl]amino]-5-oxidanyl-oxan-3-yl] carbamate |
| 17199 |  A1JAK |
0 | C18 H25 N O3 S2 | InChI=1S/C18H25NO3S2/c20- 17(12-23-10-14-4-6-19-7-5 -14)13-24-11-16-3-1-2-15( 8-16)9-18(21)22/h1-3,8,14 ,19H,4-7,9-13H2,(H,21,22); BTHILQROJMSWJP-UHFFFAOYSA-N |
c1cc(cc(c1)CSCC(=O)CSCC2CCNCC2)CC(=O)O; OC(=O)Cc1cccc(CSCC(=O)CSCC2CCNCC2)c1 |
2-[3-[[2-oxidanylidene-3-(piperidin-4-ylmethylsulfanyl)propyl]sulfanylmethyl]phenyl]ethanoic acid |
| 17200 |  A1JAL |
0 | C12 H20 N2 O3 | InChI=1S/C12H20N2O3/c15-1 1(9-4-2-1-3-5-9)14-7-6-13 -10(8-14)12(16)17/h9-10,1 3H,1-8H2,(H,16,17)/t10-/m 0/s1; UJKWBDSHPIAPAO-JTQLQIEISA-N |
OC(=O)[C@@H]1CN(CCN1)C(=O)C2CCCCC2; C1CC C(CC1)C(=O)N2CCN[C@@H](C2)C(=O)O; C1CCC( CC1)C(=O)N2CCNC(C2)C(=O)O; OC(=O)[CH]1CN (CCN1)C(=O)C2CCCCC2 |
(2S)-4-cyclohexylcarbonylpiperazine-2-carboxylic acid |