 | | 0FV | | Name: | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate | | Formula: | C10 H19 F O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)C)O | | InChi: | InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9- | | Synonyms: | 2-fluorogeranyl diphosphate | | Definition date: | 2012-01-04 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate |
|
 | | GIL | | Name: | 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN
ZOIC ACID | | Formula: | C30 H35 F2 N5 O5 | | SMILES: | O=C(NCC(C)C)c3ccc(Oc2nc(Oc1cc(C(=[N@H])N)ccc1)c(F)c(c2F)N(C(C)C)C(C)C)c(C(=O)O)c3 | | InChi: | InChI=1S/C30H35F2N5O5/c1-15(2)14-35-27(38)19-10-11-22(21(13-19)30(39)40)42-29-24(32)25(37(16(3)4)17(5)6)23(31)28(36-29)41-20-9-7-8-18(12-20)26(33)34/h7-13,15-17H,14H2,1-6H3,(H3,33,34)(H,35,38)(H,39,40) | | Synonyms: | PD0297121 | | Definition date: | 2005-10-18 | | Last modified: | 2020-06-17 | | Identifier: | 2-({4-[bis(1-methylethyl)amino]-6-(3-carbamimidoylphenoxy)-3,5-difluoropyridin-2-yl}oxy)-5-[(2-methylpropyl)carbamoyl]benzoic acid |
|
 | | 0G4 | | Name: | [[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy
-oxidanyl-phosphoryl]amino]phosphonic acid | | Formula: | C8 H14 F N4 O11 P3 S | | SMILES: | NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)O2 | | InChi: | InChI=1S/C8H14FN4O11P3S/c9-4-1-13(8(14)11-7(4)10)5-3-28-6(23-5)2-22-27(20,21)24-26(18,19)12-25(15,16)17/h1,5-6H,2-3H2,(H,20,21)(H2,10,11,14)(H4,12,15,16,17,18,19)/t5-,6+/m0/s1 | | Synonyms: | dCTP analog | | Definition date: | 2012-01-06 | | Last modified: | 2020-06-17 | | Release date: | 2014-08-27 | | Identifier: | [[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
|
 | | GIO | | Name: | CYCLO-(GLYCINE-L-PROLINE) INHIBITOR | | Formula: | C7 H10 N2 O2 | | SMILES: | O=C1N2C(C(=O)NC1)CCC2 | | InChi: | InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1 | | Synonyms: | (8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-23 | | Last modified: | 2020-06-17 | | Identifier: | (8aS)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|
 | | 0HN | | Name: | 1,3-benzodioxole-5-carboxylic acid | | Formula: | C8 H6 O4 | | SMILES: | O=C(O)c1ccc2OCOc2c1 | | InChi: | InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) | | Synonyms: | benzo[d][1,3]dioxole-5-carboxylic acid | | Definition date: | 2012-01-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | 1,3-benzodioxole-5-carboxylic acid |
|
 | | 0HW | | Name: | N-[(3S)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline | | Formula: | C17 H26 N2 O7 | | SMILES: | O=C(NC(C(=O)N1C(C(=O)O)CCC1)C(C)CC)C2OC2C(=O)OCC | | InChi: | InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12+,13+/m0/s1 | | Synonyms: | CA030 | | Definition date: | 2008-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-{[(2R,3R)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-proline |
|
 | | 0HZ | | Name: | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium | | Formula: | C11 H20 N5 O2 | | SMILES: | O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2 | | InChi: | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1 | | Synonyms: | CI-4 | | Definition date: | 2008-11-05 | | Last modified: | 2020-06-17 | | Identifier: | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium |
|
 | | GK5 | | Name: | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide | | Formula: | C22 H24 N2 O2 | | SMILES: | O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c(cc3)C)NC4CC4 | | InChi: | InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26) | | Synonyms: | N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide | | Definition date: | 2008-05-27 | | Last modified: | 2020-06-17 | | Identifier: | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide |
|
 | | GK6 | | Name: | N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide | | Formula: | C28 H30 N4 O3 | | SMILES: | O=C(NCC1CC1)c2ccc(cc2)c3c(ccc(c3)NC(=O)c4cc(ncc4)N5CCOCC5)C | | InChi: | InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34) | | Synonyms: | N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-3-biphenylyl)-2-(4-morpholinyl)-4-pyridinecarboxamide | | Definition date: | 2008-05-27 | | Last modified: | 2020-06-17 | | Identifier: | N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide |
|
 | | GKA | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl
cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz
acyclopentadecine-14a(5H)-carboxamide | | Formula: | C40 H55 N7 O9 S | | SMILES: | c2(nc1cc(OC)ccc1nc2C)OC3CN5C(C3)C(NC6(C(NS(C4(C)CC4)(=O)=O)=O)C(C=CCCCCCC(C5=O)NC(C(NC(C)=O)C(C)(C)C)=O)C6)=O | | InChi: | InChI=1S/C40H55N7O9S/c1-23-35(44-30-19-26(55-7)15-16-28(30)41-23)56-27-20-31-33(49)45-40(37(52)46-57(53,54)39(6)17-18-39)21-25(40)13-11-9-8-10-12-14-29(36(51)47(31)22-27)43-34(50)32(38(3,4)5)42-24(2)48/h11,13,15-16,19,25,27,29,31-32H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t25-,27-,29+,31+,32-,40-/m1/s1 | | Synonyms: | P4-P5-2 (AJ-67) | | Definition date: | 2018-05-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-31 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
|
 | | GKG | | Name: | 1,1,1-trifluoro-2-methylpropan-2-yl
[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,
16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-
yl]carbamate | | Formula: | C37 H47 F3 N6 O9 S | | SMILES: | C2CCCC=CC6C(NC(C1CC(CN1C(C(C2)NC(=O)OC(C)(C(F)(F)F)C)=O)Oc4nc3cc(OC)ccc3nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6 | | InChi: | InChI=1S/C37H47F3N6O9S/c1-21-30(42-27-17-23(53-5)13-14-25(27)41-21)54-24-18-28-29(47)44-36(32(49)45-56(51,52)35(4)15-16-35)19-22(36)11-9-7-6-8-10-12-26(31(48)46(28)20-24)43-33(50)55-34(2,3)37(38,39)40/h9,11,13-14,17,22,24,26,28H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t22-,24-,26+,28+,36-/m1/s1 | | Synonyms: | P4-1 (AJ-71) | | Definition date: | 2018-05-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-31 | | Identifier: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | 0IT | | Name: | amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium | | Formula: | C20 H31 N6 O5 S | | SMILES: | O=C(NC(C=O)CCCNC(=[NH2+])N)CN2C(=O)C(NS(=O)(=O)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C20H30N6O5S/c21-20(22)23-10-4-8-16(13-27)24-18(28)12-26-11-5-9-17(19(26)29)25-32(30,31)14-15-6-2-1-3-7-15/h1-3,6-7,13,16-17,25H,4-5,8-12,14H2,(H,24,28)(H4,21,22,23)/p+1/t16-,17-/m0/s1 | | Synonyms: | CVS1578 | | Definition date: | 2008-12-11 | | Last modified: | 2020-06-17 | | Identifier: | amino({(4S)-4-[({(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium |
|
 | | GKJ | | Name: | pentyl
[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,
16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-
yl]carbamate | | Formula: | C38 H52 N6 O9 S | | SMILES: | c2(c(C)nc1c(cc(cc1)OC)n2)OC4CC5C(NC6(C(NS(C3(CC3)C)(=O)=O)=O)C(C=CCCCCCC(C(N5C4)=O)NC(=O)OCCCCC)C6)=O | | InChi: | InChI=1S/C38H52N6O9S/c1-5-6-12-19-52-36(48)41-29-14-11-9-7-8-10-13-25-22-38(25,35(47)43-54(49,50)37(3)17-18-37)42-32(45)31-21-27(23-44(31)34(29)46)53-33-24(2)39-28-16-15-26(51-4)20-30(28)40-33/h10,13,15-16,20,25,27,29,31H,5-9,11-12,14,17-19,21-23H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b13-10-/t25-,27-,29+,31+,38-/m1/s1 | | Synonyms: | P4-2 (JZ01-19) | | Definition date: | 2018-05-24 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-31 | | Identifier: | pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
|
 | | 0IU | | Name: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d
imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide | | Formula: | C34 H53 N5 O5 S | | SMILES: | O=C(N(C)C)CN(C(=O)CC(C(=O)NC(CC1CCCCC1)C(O)C(O)CC(C)C)Cc2nc(sc2)N)C(c3ccccc3)C | | InChi: | InChI=1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1 | | Synonyms: | P2-P3 butanediamide renin inhibitor (1) | | Definition date: | 2008-11-12 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide |
|
 | | 0JM | | Name: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo
xylic acid | | Formula: | C17 H20 N2 O6 S | | SMILES: | O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1 | | Synonyms: | Carbenicillin | | Definition date: | 2012-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|
 | | GMC | | Name: | (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL | | Formula: | C12 H18 N6 O3 | | SMILES: | n2c1c(ncnc1N(C)C)n(c2)C3OC(C(N)C3O)CO | | InChi: | InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12-/m1/s1 | | Synonyms: | 6N-DIMETHYL-3'-DEOXY-AMINO-ADENOSINE | | Definition date: | 2001-11-05 | | Last modified: | 2020-06-17 | | Identifier: | 3'-amino-3'-deoxy-N,N-dimethyladenosine |
|
 | | GMD | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol | | Formula: | C16 H25 N5 O2 S | | SMILES: | C(O)CCCSCC1CN(CC1O)Cc2cnc3c2ncnc3N | | InChi: | InChI=1S/C16H25N5O2S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-24-4-2-1-3-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | | Synonyms: | hydroxybutylthio-DADMe-Immucillin-A | | Definition date: | 2018-05-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-06-06 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol |
|
 | | GMM | | Name: | GLUCOSE MONOMYCOLATE | | Formula: | C66 H126 O8 | | SMILES: | O=C(OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC=C/CCCCCCCCC=C/CCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1 | | Synonyms: | 6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE | | Definition date: | 2006-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-alpha-L-idopyranose |
|
 | | 0KZ | | Name: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen
phosphate | | Formula: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3 | | InChi: | InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1 | | Synonyms: | 2'-exo-methanocarba-thymidine monophosphate | | Definition date: | 2012-02-07 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate |
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 | | GMR | | Name: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car
boxamide | | Formula: | C24 H34 N4 O5 S | | SMILES: | S(NC(=O)NC1CCC(C)CC1)(=O)(=O)c3ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc3 | | InChi: | InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19+ | | Synonyms: | glimepiride | | Definition date: | 2015-04-09 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-25 | | Identifier: | 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
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 | | 0LA | | Name: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid | | Formula: | C15 H12 Cl N O2 | | SMILES: | O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C | | InChi: | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1 | | Synonyms: | (S)-carprofen | | Definition date: | 2012-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-01-18 | | Identifier: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
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 | | 0LI | | Name: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam
ide | | Formula: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C | | InChi: | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | | Synonyms: | Ponatinib | | Definition date: | 2009-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide |
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 | | 0LY | | Name: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Formula: | C17 H24 Br N3 O2 | | SMILES: | Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | Synonyms: | NBD-557 | | Definition date: | 2012-02-27 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-22 | | Identifier: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
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 | | 0MO | | Name: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one | | Formula: | C15 H22 N2 O3 | | SMILES: | O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 | | InChi: | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 | | Synonyms: | 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | | Definition date: | 2009-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
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 | | GOX | | Name: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL | | Formula: | C6 H12 N2 O5 | | SMILES: | OC1C(O)C(O)C(=NO)NC1CO | | InChi: | InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1 | | Synonyms: | D-GLUCONHYDROXIMO-1,5-LACTAM | | Definition date: | 2000-08-23 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one oxime |
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