![DQG DQG](https://data.pdbj.org/pdbjplus/data/cc/svg/DQG.svg) | DQG | Name: | 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | Formula: | C22 H24 Cl N3 O3 | SMILES: | c4ccc(Cl)c(C(c2cc1c(c(C(=O)O)ccn1)n2)OCCN3CCCCC3)c4 | InChi: | InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m0/s1 | Definition date: | 2017-11-01 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid |
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![DQJ DQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DQJ.svg) | DQJ | Name: | N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide | Formula: | C15 H22 N4 O2 | SMILES: | C(N2CCC(NC(C1CC1)=O)C2)(c3cc(C(C)C)nn3)=O | InChi: | InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1 | Definition date: | 2017-11-01 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide |
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![E0Z E0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/E0Z.svg) | E0Z | Name: | 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide | Formula: | C27 H25 Cl N6 O3 | SMILES: | COc1cc(CNC(=O)Cc2cn(CCNc3c4ccccc4nc5cc(Cl)ccc35)nn2)ccc1O | InChi: | InChI=1S/C27H25ClN6O3/c1-37-25-12-17(6-9-24(25)35)15-30-26(36)14-19-16-34(33-32-19)11-10-29-27-20-4-2-3-5-22(20)31-23-13-18(28)7-8-21(23)27/h2-9,12-13,16,35H,10-11,14-15H2,1H3,(H,29,31)(H,30,36) | Definition date: | 2018-02-09 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide |
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![E1K E1K](https://data.pdbj.org/pdbjplus/data/cc/svg/E1K.svg) | E1K | Name: | 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine | Formula: | C14 H16 Cl N2 | SMILES: | C[n+]1c2CCCCc2c(N)c3ccc(Cl)cc13 | InChi: | InChI=1S/C14H15ClN2/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)17/h6-8,16H,2-5H2,1H3/p+1 | Definition date: | 2018-02-09 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine |
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![E1N E1N](https://data.pdbj.org/pdbjplus/data/cc/svg/E1N.svg) | E1N | Name: | 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium | Formula: | C19 H22 Cl N2 | SMILES: | CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2 | InChi: | InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1 | Definition date: | 2018-02-09 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 |
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![EG5 EG5](https://data.pdbj.org/pdbjplus/data/cc/svg/EG5.svg) | EG5 | Name: | (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid | Formula: | C35 H40 Cl N5 O7 | SMILES: | CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O | InChi: | InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28+,29-,35+/m0/s1 | Definition date: | 2018-03-16 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
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![AUN AUN](https://data.pdbj.org/pdbjplus/data/cc/svg/AUN.svg) | AUN | Name: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide | Formula: | C22 H20 Br N5 O2 | SMILES: | C[CH](Oc1ccc(cc1)c2cn(C)cn2)C(=O)Nc3[nH]c(cn3)c4ccc(Br)cc4 | InChi: | InChI=1S/C22H20BrN5O2/c1-14(30-18-9-5-16(6-10-18)20-12-28(2)13-25-20)21(29)27-22-24-11-19(26-22)15-3-7-17(23)8-4-15/h3-14H,1-2H3,(H2,24,26,27,29)/t14-/m0/s1 | Definition date: | 2017-08-23 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide |
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![AUQ AUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AUQ.svg) | AUQ | Name: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide | Formula: | C16 H16 I N O3 | SMILES: | COc1ccc(O[CH](C)C(=O)Nc2ccc(I)cc2)cc1 | InChi: | InChI=1S/C16H16INO3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1 | Definition date: | 2017-08-23 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide |
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![F8G F8G](https://data.pdbj.org/pdbjplus/data/cc/svg/F8G.svg) | F8G | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) | Formula: | C32 H48 N7 O20 P3 S | SMILES: | c12n(cnc1c(N)ncn2)C3OC(C(C3O)OP(O)(=O)O)COP(OP(OCC(C(C(NCCC(NCCSC(C4=C(CCC(C45CCC(O5)=O)C)O)=O)=O)=O)O)(C)C)(O)=O)(=O)O | InChi: | InChI=1S/C32H48N7O20P3S/c1-16-4-5-17(40)21(32(16)8-6-20(42)57-32)30(46)63-11-10-34-19(41)7-9-35-28(45)25(44)31(2,3)13-55-62(52,53)59-61(50,51)54-12-18-24(58-60(47,48)49)23(43)29(56-18)39-15-38-22-26(33)36-14-37-27(22)39/h14-16,18,23-25,29,40,43-44H,4-13H2,1-3H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t16-,18-,23-,24-,25+,29-,32-/m1/s1 | Definition date: | 2018-03-14 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) |
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![F8Y F8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F8Y.svg) | F8Y | Name: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | Formula: | C18 H17 F2 N5 O2 | SMILES: | c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C(=O)N(c2cn3)CC#C)F)O)F | InChi: | InChI=1S/C18H17F2N5O2/c1-4-6-25-14-9-21-18(22-11-7-12(19)15(26)13(20)8-11)23-16(14)24(5-2)10(3)17(25)27/h1,7-10,26H,5-6H2,2-3H3,(H,21,22,23)/t10-/m1/s1 | Definition date: | 2018-03-16 | Last modified: | 2018-03-23 | Release date: | 2018-03-28 | Identifier: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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![YUI YUI](https://data.pdbj.org/pdbjplus/data/cc/svg/YUI.svg) | YUI | Name: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione | Formula: | C26 H25 Cl N4 O3 | SMILES: | CC1=CN(C2CCN(CC2)Cc3cc(Oc4cccc(Cl)c4)c5ccccc5n3)C(=O)NC1=O | InChi: | InChI=1S/C26H25ClN4O3/c1-17-15-31(26(33)29-25(17)32)20-9-11-30(12-10-20)16-19-14-24(22-7-2-3-8-23(22)28-19)34-21-6-4-5-18(27)13-21/h2-8,13-15,20H,9-12,16H2,1H3,(H,29,32,33) | Definition date: | 2017-04-24 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione |
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![Z1B Z1B](https://data.pdbj.org/pdbjplus/data/cc/svg/Z1B.svg) | Z1B | Name: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | Formula: | C39 H49 F2 N5 O9 S | SMILES: | C4(Oc3c1c(cc(cc1)OC)nc(c2ccccc2)c3)CN(C(C4)C(=O)NC(C(NS(C5CC5)(=O)=O)=O)CC(F)F)C(C(NC(=O)OC(C)(C)C)C(C)(C)C)=O | InChi: | InChI=1S/C39H49F2N5O9S/c1-38(2,3)33(44-37(50)55-39(4,5)6)36(49)46-21-24(18-30(46)35(48)43-29(20-32(40)41)34(47)45-56(51,52)25-14-15-25)54-31-19-27(22-11-9-8-10-12-22)42-28-17-23(53-7)13-16-26(28)31/h8-13,16-17,19,24-25,29-30,32-33H,14-15,18,20-21H2,1-7H3,(H,43,48)(H,44,50)(H,45,47)/t24-,29+,30+,33-/m1/s1 | Definition date: | 2017-11-29 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide |
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![Z1E Z1E](https://data.pdbj.org/pdbjplus/data/cc/svg/Z1E.svg) | Z1E | Name: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide | Formula: | C34 H44 Cl F2 N5 O9 S | SMILES: | C1(C(C1)C(F)F)(NC(C2N(C(C(NC(OC(C)(C)C)=O)C(C)(C)C)=O)CC(C2)Oc4c3cc(ccc3c(cn4)OC)Cl)=O)C(NS(C5CC5)(=O)=O)=O | InChi: | InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1 | Definition date: | 2017-11-29 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide |
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![KPM KPM](https://data.pdbj.org/pdbjplus/data/cc/svg/KPM.svg) | KPM | Name: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose | Formula: | C19 H30 N2 O13 | SMILES: | CC(=O)NC1C(C(C(OC1O)CO)OC3OC2COC(C(O)=O)(C)OC2C(O)C3NC(C)=O)O | InChi: | InChI=1S/C19H30N2O13/c1-6(23)20-10-12(25)14(8(4-22)31-16(10)27)33-17-11(21-7(2)24)13(26)15-9(32-17)5-30-19(3,34-15)18(28)29/h8-17,22,25-27H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,28,29)/t8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,19+/m1/s1 | Definition date: | 2017-12-06 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose |
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![MVG MVG](https://data.pdbj.org/pdbjplus/data/cc/svg/MVG.svg) | MVG | Name: | 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid | Formula: | C21 H19 N5 O2 | SMILES: | O=C(O)c1ccc(cc1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C | InChi: | InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28) | Definition date: | 2013-09-26 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid |
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![81U 81U](https://data.pdbj.org/pdbjplus/data/cc/svg/81U.svg) | 81U | Name: | 3-azanylphenazin-2-ol | Formula: | C12 H9 N3 O | SMILES: | Nc1cc2nc3ccccc3nc2cc1O | InChi: | InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2 | Definition date: | 2017-03-21 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 3-azanylphenazin-2-ol |
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![9D5 9D5](https://data.pdbj.org/pdbjplus/data/cc/svg/9D5.svg) | 9D5 | Name: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one | Formula: | C17 H19 N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)[CH]2NC(=O)c3ccccc3N2 | InChi: | InChI=1S/C17H19N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,16,18,21H,10-11H2,1H3,(H,19,22)/t16-/m0/s1 | Definition date: | 2017-05-10 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one |
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![8SW 8SW](https://data.pdbj.org/pdbjplus/data/cc/svg/8SW.svg) | 8SW | Name: | ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | Formula: | C32 H32 N6 O12 | SMILES: | Oc1cccc(C(=O)NCC(=O)NC[CH](NC(=O)c2cccc(O)c2O)C(=O)NC[CH](NC(=O)c3cccc(O)c3O)C(=O)NCC#C)c1O | InChi: | InChI=1S/C32H32N6O12/c1-2-12-33-31(49)20(38-30(48)18-8-5-11-23(41)27(18)45)14-35-32(50)19(37-29(47)17-7-4-10-22(40)26(17)44)13-34-24(42)15-36-28(46)16-6-3-9-21(39)25(16)43/h1,3-11,19-20,39-41,43-45H,12-15H2,(H,33,49)(H,34,42)(H,35,50)(H,36,46)(H,37,47)(H,38,48)/t19-,20-/m0/s1 | Definition date: | 2017-03-03 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide |
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![8T2 8T2](https://data.pdbj.org/pdbjplus/data/cc/svg/8T2.svg) | 8T2 | Name: | ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide | Formula: | C31 H36 N4 O10 | SMILES: | Oc1cccc(C(=O)NCCCCNC(=O)[CH](CCCCNC(=O)c2cccc(O)c2O)NC(=O)c3cccc(O)c3O)c1O | InChi: | InChI=1S/C31H36N4O10/c36-22-12-5-8-18(25(22)39)28(42)32-15-2-1-11-21(35-30(44)20-10-7-14-24(38)27(20)41)31(45)34-17-4-3-16-33-29(43)19-9-6-13-23(37)26(19)40/h5-10,12-14,21,36-41H,1-4,11,15-17H2,(H,32,42)(H,33,43)(H,34,45)(H,35,44)/t21-/m0/s1 | Definition date: | 2017-03-03 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide |
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![8TB 8TB](https://data.pdbj.org/pdbjplus/data/cc/svg/8TB.svg) | 8TB | Name: | (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid | Formula: | C36 H42 Cl N5 O7 | SMILES: | C[CH]1C[CH](N2[CH]1C=C[CH]3CCN([CH]3C2=O)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45)C(O)=O | InChi: | InChI=1S/C36H42ClN5O7/c1-20-18-29(34(47)48)42-27(20)10-8-22-13-17-39(30(22)33(42)46)32(45)28-11-9-24-12-15-36(35(49)41(24)28)14-5-16-40(36)31(44)26(38-21(2)43)19-23-6-3-4-7-25(23)37/h3-4,6-8,10,12,15,20,22,24,26-30H,5,9,11,13-14,16-19H2,1-2H3,(H,38,43)(H,47,48)/t20-,22+,24+,26+,27+,28+,29+,30+,36-/m1/s1 | Definition date: | 2017-03-06 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
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![8TQ 8TQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8TQ.svg) | 8TQ | Name: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde | Formula: | C12 H16 N2 O2 | SMILES: | O=C[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12 | InChi: | InChI=1S/C12H16N2O2/c15-7-10-4-3-9-2-1-8-5-6-13-11(8)12(16)14(9)10/h1-2,7-11,13H,3-6H2/t8-,9-,10-,11-/m0/s1 | Definition date: | 2017-03-07 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde |
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![8VK 8VK](https://data.pdbj.org/pdbjplus/data/cc/svg/8VK.svg) | 8VK | Name: | ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate | Formula: | C39 H48 Cl N5 O7 | SMILES: | CCOC(=O)[CH]1C[CH](CC)[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | InChi: | InChI=1S/C39H48ClN5O7/c1-4-24-22-32(37(50)52-5-2)45-30(24)13-11-25-16-20-42(33(25)36(45)49)35(48)31-14-12-27-15-18-39(38(51)44(27)31)17-8-19-43(39)34(47)29(41-23(3)46)21-26-9-6-7-10-28(26)40/h6-7,9-11,13,15,18,24-25,27,29-33H,4-5,8,12,14,16-17,19-22H2,1-3H3,(H,41,46)/t24-,25+,27+,29+,30+,31+,32+,33+,39-/m1/s1 | Definition date: | 2017-03-13 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
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![8WO 8WO](https://data.pdbj.org/pdbjplus/data/cc/svg/8WO.svg) | 8WO | Name: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide | Formula: | C8 H12 N2 O2 | SMILES: | COC1=CC=C(CN1C)C(N)=O | InChi: | InChI=1S/C8H12N2O2/c1-10-5-6(8(9)11)3-4-7(10)12-2/h3-4H,5H2,1-2H3,(H2,9,11) | Definition date: | 2017-10-17 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 6-methoxy-1-methyl-2~{H}-pyridine-3-carboxamide |
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![8YJ 8YJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8YJ.svg) | 8YJ | Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid | Formula: | C15 H11 Cl O3 S | SMILES: | c1(ccccc1SCC(=O)c2ccc(cc2)Cl)C(O)=O | InChi: | InChI=1S/C15H11ClO3S/c16-11-7-5-10(6-8-11)13(17)9-20-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19) | Definition date: | 2017-03-20 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid |
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![90P 90P](https://data.pdbj.org/pdbjplus/data/cc/svg/90P.svg) | 90P | Name: | N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine | Formula: | C24 H37 N5 O2 | SMILES: | c3(nc(NC1CCN(CC)CC1)c2cc(OC)c(cc2n3)OC)N(C)C4CCCCC4 | InChi: | InChI=1S/C24H37N5O2/c1-5-29-13-11-17(12-14-29)25-23-19-15-21(30-3)22(31-4)16-20(19)26-24(27-23)28(2)18-9-7-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27) | Definition date: | 2017-03-24 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine |
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