 | | X6B | | Name: | 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide | | Formula: | C16 H14 F N5 O3 S2 | | SMILES: | Fc1cccc(c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N | | InChi: | InChI=1S/C16H14FN5O3S2/c17-9-2-1-3-11(8-9)20-15(23)13-14(18)22-16(26-13)21-10-4-6-12(7-5-10)27(19,24)25/h1-8H,18H2,(H,20,23)(H,21,22)(H2,19,24,25) | | Definition date: | 2011-03-29 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide |
|
 | | 19C | | Name: | 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one | | Formula: | C15 H11 Cl F N O3 | | SMILES: | Oc1ccc2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O | | InChi: | InChI=1S/C15H10ClFNO3/c16-10-5-8(1-3-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,7,19-20H,6H2 | | Definition date: | 2012-10-08 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)-3H-isoindol-1-one |
|
 | | MFY | | Name: | 2-[(4-chlorobenzyl)amino]ethanesulfonic acid | | Formula: | C9 H12 Cl N O3 S | | SMILES: | Clc1ccc(cc1)CNCCS(=O)(=O)O | | InChi: | InChI=1S/C9H12ClNO3S/c10-9-3-1-8(2-4-9)7-11-5-6-15(12,13)14/h1-4,11H,5-7H2,(H,12,13,14) | | Definition date: | 2012-06-29 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(4-chlorobenzyl)amino]ethanesulfonic acid |
|
 | | 0G5 | | Name: | N~5~-(3-iodobenzoyl)-L-ornithine | | Formula: | C12 H15 I N2 O3 | | SMILES: | O=C(c1cc(I)ccc1)NCCCC(C(=O)O)N | | InChi: | InChI=1S/C12H15IN2O3/c13-9-4-1-3-8(7-9)11(16)15-6-2-5-10(14)12(17)18/h1,3-4,7,10H,2,5-6,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 | | Definition date: | 2012-08-10 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | N~5~-(3-iodobenzoyl)-L-ornithine |
|
 | | 0GF | | Name: | 4-bromo-3-methylbenzoic acid | | Formula: | C8 H7 Br O2 | | SMILES: | Brc1ccc(C(=O)O)cc1C | | InChi: | InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) | | Definition date: | 2012-08-10 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 4-bromo-3-methylbenzoic acid |
|
 | | 0GG | | Name: | 3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine | | Formula: | C12 H16 N2 O5 | | SMILES: | O=C(O)C(N)CNC(=O)Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C12H16N2O5/c1-19-10-4-7(2-3-9(10)15)5-11(16)14-6-8(13)12(17)18/h2-4,8,15H,5-6,13H2,1H3,(H,14,16)(H,17,18)/t8-/m1/s1 | | Definition date: | 2012-08-10 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alanine |
|
 | | 0H9 | | Name: | 2-[(4-methoxybenzyl)amino]ethanesulfonic acid | | Formula: | C10 H15 N O4 S | | SMILES: | O=S(=O)(O)CCNCc1ccc(OC)cc1 | | InChi: | InChI=1S/C10H15NO4S/c1-15-10-4-2-9(3-5-10)8-11-6-7-16(12,13)14/h2-5,11H,6-8H2,1H3,(H,12,13,14) | | Definition date: | 2012-06-29 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(4-methoxybenzyl)amino]ethanesulfonic acid |
|
 | | D53 | | Name: | 2-(benzylamino)ethanesulfonic acid | | Formula: | C9 H13 N O3 S | | SMILES: | O=S(=O)(O)CCNCc1ccccc1 | | InChi: | InChI=1S/C9H13NO3S/c11-14(12,13)7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13) | | Definition date: | 2012-06-25 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-(benzylamino)ethanesulfonic acid |
|
 | | 0O9 | | Name: | (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate | | Formula: | C32 H65 O10 P | | SMILES: | O=P(O)(OC1C(OCC(C)C)CC(O)C(O)C1O)OCC(OC)COCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C32H65O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24-27(38-4)25-41-43(36,37)42-32-29(40-23-26(2)3)22-28(33)30(34)31(32)35/h26-35H,5-25H2,1-4H3,(H,36,37)/t27-,28-,29-,30+,31+,32-/m0/s1 | | Definition date: | 2012-03-29 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate |
|
 | | D8I | | Name: | 2-[(3-methoxybenzyl)amino]ethanesulfonic acid | | Formula: | C10 H15 N O4 S | | SMILES: | O=S(=O)(O)CCNCc1cc(OC)ccc1 | | InChi: | InChI=1S/C10H15NO4S/c1-15-10-4-2-3-9(7-10)8-11-5-6-16(12,13)14/h2-4,7,11H,5-6,8H2,1H3,(H,12,13,14) | | Definition date: | 2012-07-02 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3-methoxybenzyl)amino]ethanesulfonic acid |
|
 | | 0RB | | Name: | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide | | Formula: | C10 H9 N9 O2 | | SMILES: | O=C(NCc1cnnn1)c2nc3c(nc2)C(=O)N=C(N)N3 | | InChi: | InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21) | | Definition date: | 2012-04-27 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide |
|
 | | 0SX | | Name: | 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one | | Formula: | C14 H12 Cl N3 O2 | | SMILES: | Clc4cc3c(oc1c3N=C(NC1=O)C2NCCC2)cc4 | | InChi: | InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1 | | Definition date: | 2012-05-24 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one |
|
 | | 0SY | | Name: | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | Formula: | C12 H11 N3 O | | SMILES: | O=C2c1cc(nc1CCN2)c3ccncc3 | | InChi: | InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16) | | Definition date: | 2012-05-24 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
|
 | | 75A | | Name: | N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide | | Formula: | C24 H28 F2 I N4 O7 P | | SMILES: | O=C(c1cc(I)ccc1)NCCCC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccc(cc2)C(F)(F)P(=O)(O)O | | InChi: | InChI=1S/C24H28F2IN4O7P/c1-14(32)30-20(12-15-7-9-17(10-8-15)24(25,26)39(36,37)38)23(35)31-19(21(28)33)6-3-11-29-22(34)16-4-2-5-18(27)13-16/h2,4-5,7-10,13,19-20H,3,6,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,32)(H,31,35)(H2,36,37,38)/t19-,20-/m0/s1 | | Definition date: | 2012-08-10 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide |
|
 | | IH9 | | Name: | 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid | | Formula: | C9 H13 N O4 S | | SMILES: | O=S(=O)(O)CCNCc1cc(O)ccc1 | | InChi: | InChI=1S/C9H13NO4S/c11-9-3-1-2-8(6-9)7-10-4-5-15(12,13)14/h1-3,6,10-11H,4-5,7H2,(H,12,13,14) | | Definition date: | 2012-06-29 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid |
|
 | | 20Z | | Name: | 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide | | Formula: | C20 H16 N4 O3 S2 | | SMILES: | O=S(=O)(N)c4ccc(Nc1nc(c(s1)C(=O)c3cc2ccccc2cc3)N)cc4 | | InChi: | InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27) | | Definition date: | 2011-04-21 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
|
 | | 21Z | | Name: | 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide | | Formula: | C16 H14 N4 O3 S2 | | SMILES: | O=S(=O)(c3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3)N | | InChi: | InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23) | | Definition date: | 2011-04-25 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide |
|
 | | 7HV | | Name: | 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid | | Formula: | C9 H11 Cl2 N O3 S | | SMILES: | Clc1ccc(cc1Cl)CNCCS(=O)(=O)O | | InChi: | InChI=1S/C9H11Cl2NO3S/c10-8-2-1-7(5-9(8)11)6-12-3-4-16(13,14)15/h1-2,5,12H,3-4,6H2,(H,13,14,15) | | Definition date: | 2012-07-02 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid |
|
 | | 0V7 | | Name: | 2-[(3-fluorobenzyl)amino]ethanesulfonic acid | | Formula: | C9 H12 F N O3 S | | SMILES: | Fc1cc(ccc1)CNCCS(=O)(=O)O | | InChi: | InChI=1S/C9H12FNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14) | | Definition date: | 2012-07-02 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3-fluorobenzyl)amino]ethanesulfonic acid |
|
 | | 0V8 | | Name: | 2-[(3-bromobenzyl)amino]ethanesulfonic acid | | Formula: | C9 H12 Br N O3 S | | SMILES: | Brc1cc(ccc1)CNCCS(=O)(=O)O | | InChi: | InChI=1S/C9H12BrNO3S/c10-9-3-1-2-8(6-9)7-11-4-5-15(12,13)14/h1-3,6,11H,4-5,7H2,(H,12,13,14) | | Definition date: | 2012-07-02 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 2-[(3-bromobenzyl)amino]ethanesulfonic acid |
|
 | | 12Z | | Name: | [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | | Formula: | C15 H18 N4 O S | | SMILES: | O=C(c1sc(nc1N)NC2CCCCC2)c3cccnc3 | | InChi: | InChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19) | | Definition date: | 2011-04-18 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone |
|
 | | 13F | | Name: | 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide | | Formula: | C15 H15 N3 O3 S | | SMILES: | O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)Nc3ccccc3 | | InChi: | InChI=1S/C15H15N3O3S/c1-18-10-11-9-13(7-8-14(11)16-15(18)19)22(20,21)17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,19) | | Definition date: | 2012-10-02 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
|
 | | 14X | | Name: | 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one | | Formula: | C13 H17 N3 O3 S | | SMILES: | O=S(=O)(c2cc1c(NC(=O)N(C)C1)cc2)N3CCCC3 | | InChi: | InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17) | | Definition date: | 2012-10-11 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one |
|
 | | 14Z | | Name: | N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide | | Formula: | C11 H15 N3 O3 S | | SMILES: | O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)NCC | | InChi: | InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15) | | Definition date: | 2012-10-11 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
|
 | | 15E | | Name: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one | | Formula: | C9 H9 Br N2 O | | SMILES: | Brc1ccc2NC(=O)N(Cc2c1)C | | InChi: | InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13) | | Definition date: | 2012-10-11 | | Last modified: | 2012-10-26 | | Release date: | 2012-10-26 | | Identifier: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one |
|
