![HUP HUP](https://data.pdbj.org/pdbjplus/data/cc/svg/HUP.svg) | HUP | Name: | Huperzine A | Formula: | C15 H18 N2 O | SMILES: | O=C1C=CC2=C(N1)CC3C=C(CC2(N)/C3=C/C)C | InChi: | InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2013-10-16 | Identifier: | (5R,9R,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one |
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![29Q 29Q](https://data.pdbj.org/pdbjplus/data/cc/svg/29Q.svg) | 29Q | Name: | (5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol | Formula: | C16 H13 Cl N2 O | SMILES: | Clc1ccc(cc1)C4(O)c2c(cccc2)C3=NCCN34 | InChi: | InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2/t16-/m1/s1 | Definition date: | 2013-09-12 | Last modified: | 2013-10-11 | Release date: | 2013-10-16 | Identifier: | (5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol |
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![KFQ KFQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KFQ.svg) | KFQ | Name: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one | Formula: | C9 H6 N4 O S | SMILES: | O=C3Nc1c(cccc1)n2c3nnc2S | InChi: | InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15) | Definition date: | 2013-05-03 | Last modified: | 2013-10-04 | Release date: | 2013-10-09 | Identifier: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one |
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![RUL RUL](https://data.pdbj.org/pdbjplus/data/cc/svg/RUL.svg) | RUL | Name: | tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) | Formula: | C64 H44 N14 Ru2 | SMILES: | n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20 | InChi: | InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20 | Definition date: | 2013-08-26 | Last modified: | 2013-09-27 | Release date: | 2013-10-02 | Identifier: | tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) |
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![AVL AVL](https://data.pdbj.org/pdbjplus/data/cc/svg/AVL.svg) | AVL | Name: | 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one | Formula: | C14 H18 N2 O | SMILES: | O=C(c1c2ccccn2nc1C(C)C)C(C)C | InChi: | InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3 | Definition date: | 2012-08-28 | Last modified: | 2013-09-27 | Release date: | 2013-10-02 | Identifier: | 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one |
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![0Y4 0Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/0Y4.svg) | 0Y4 | Name: | N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide | Formula: | C20 H19 N9 O | SMILES: | O=C(Nc1c(ccc(c1)Nc2nc4c(C#N)cnn4c(c2)Nc3ncn(c3)C)C)C | InChi: | InChI=1S/C20H19N9O/c1-12-4-5-15(6-16(12)24-13(2)30)25-17-7-19(26-18-10-28(3)11-22-18)29-20(27-17)14(8-21)9-23-29/h4-7,9-11,26H,1-3H3,(H,24,30)(H,25,27) | Definition date: | 2012-09-07 | Last modified: | 2013-09-20 | Release date: | 2013-09-25 | Identifier: | N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide |
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![25K 25K](https://data.pdbj.org/pdbjplus/data/cc/svg/25K.svg) | 25K | Name: | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Formula: | C15 H17 N5 | SMILES: | n2c(cc(N(Cc1ccc(cc1)C)C)n3ncnc23)C | InChi: | InChI=1S/C15H17N5/c1-11-4-6-13(7-5-11)9-19(3)14-8-12(2)18-15-16-10-17-20(14)15/h4-8,10H,9H2,1-3H3 | Definition date: | 2013-08-28 | Last modified: | 2013-09-20 | Release date: | 2013-09-25 | Identifier: | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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![25O 25O](https://data.pdbj.org/pdbjplus/data/cc/svg/25O.svg) | 25O | Name: | 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | Formula: | C12 H11 N5 | SMILES: | n2c(cc(c1ccccc1)n3nc(nc23)N)C | InChi: | InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16) | Definition date: | 2013-08-28 | Last modified: | 2013-09-20 | Release date: | 2013-09-25 | Identifier: | 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
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![26K 26K](https://data.pdbj.org/pdbjplus/data/cc/svg/26K.svg) | 26K | Name: | N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine | Formula: | C13 H17 N7 | SMILES: | n2n1ccc(nc1c(c2)c3cnnc3)NCCN(C)C | InChi: | InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16) | Definition date: | 2013-09-02 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine |
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![26L 26L](https://data.pdbj.org/pdbjplus/data/cc/svg/26L.svg) | 26L | Name: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine | Formula: | C22 H23 N5 | SMILES: | n1c(ccn2ncc(c12)c4cc3ccccc3cc4)NC5CCCCC5N | InChi: | InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1 | Definition date: | 2013-09-02 | Last modified: | 2013-09-06 | Release date: | 2013-09-11 | Identifier: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine |
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![1XW 1XW](https://data.pdbj.org/pdbjplus/data/cc/svg/1XW.svg) | 1XW | Name: | (1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid | Formula: | C9 H14 N2 O2 | SMILES: | O=C(O)C3NCC1N(C2C(C1)C2)C3 | InChi: | InChI=1S/C9H14N2O2/c12-9(13)7-4-11-6(3-10-7)1-5-2-8(5)11/h5-8,10H,1-4H2,(H,12,13)/t5-,6-,7+,8+/m1/s1 | Definition date: | 2013-07-30 | Last modified: | 2013-08-23 | Release date: | 2013-08-28 | Identifier: | (1aS,4S,6aR,7aS)-octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid |
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![1Y0 1Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/1Y0.svg) | 1Y0 | Name: | (4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide | Formula: | C30 H43 N5 O4 | SMILES: | O=C(NC(C(=O)N3CC2N(C1CC1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)C | InChi: | InChI=1S/C30H43N5O4/c1-18(31-2)28(36)33-27(19-8-4-3-5-9-19)30(38)35-16-21-14-20-15-24(20)34(21)17-25(35)29(37)32-23-12-13-39-26-11-7-6-10-22(23)26/h6-7,10-11,18-21,23-25,27,31H,3-5,8-9,12-17H2,1-2H3,(H,32,37)(H,33,36)/t18-,20+,21+,23+,24-,25-,27-/m0/s1 | Definition date: | 2013-07-30 | Last modified: | 2013-08-23 | Release date: | 2013-08-28 | Identifier: | (1aS,4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide |
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![1KT 1KT](https://data.pdbj.org/pdbjplus/data/cc/svg/1KT.svg) | 1KT | Name: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | Formula: | C28 H32 N2 O8 | SMILES: | O=C(c1cc(OC)c(OC)c(OC)c1)C(=O)N3C4C5c2c(OC)cc(OC)cc2CCN5C(=O)C3CCC4 | InChi: | InChI=1S/C28H32N2O8/c1-34-17-11-15-9-10-29-24(23(15)20(14-17)35-2)18-7-6-8-19(27(29)32)30(18)28(33)25(31)16-12-21(36-3)26(38-5)22(13-16)37-4/h11-14,18-19,24H,6-10H2,1-5H3/t18-,19+,24+/m1/s1 | Definition date: | 2013-03-12 | Last modified: | 2013-08-23 | Release date: | 2013-08-28 | Identifier: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione |
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![1V5 1V5](https://data.pdbj.org/pdbjplus/data/cc/svg/1V5.svg) | 1V5 | Name: | N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide | Formula: | C26 H26 F N5 O2 | SMILES: | Fc1ccc(cc1)C6(NC(=O)c3ccc2nc(c4nccn4c2c3)NC5CCC(O)CC5)CC6 | InChi: | InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20- | Definition date: | 2013-06-14 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide |
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![IR1 IR1](https://data.pdbj.org/pdbjplus/data/cc/svg/IR1.svg) | IR1 | Name: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one | Formula: | C18 H10 N6 O | SMILES: | O=C4N=Nc5nnc(c1c3ccccn3nc1c2ccccc2)cc45 | InChi: | InChI=1S/C18H10N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H | Definition date: | 2013-01-03 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one |
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![RPO RPO](https://data.pdbj.org/pdbjplus/data/cc/svg/RPO.svg) | RPO | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside | Formula: | C30 H51 N5 O14 | SMILES: | O(C3C(OC2OC(CO)C(OCc1ccccc1)C(O)C2N)C(N)CC(N)C3O)C5OC(C(OC4OC(CN)C(O)C(O)C4N)C5O)CO | InChi: | InChI=1S/C30H51N5O14/c31-7-14-20(39)21(40)17(34)28(44-14)48-26-16(9-37)46-30(23(26)42)49-27-19(38)12(32)6-13(33)24(27)47-29-18(35)22(41)25(15(8-36)45-29)43-10-11-4-2-1-3-5-11/h1-5,12-30,36-42H,6-10,31-35H2/t12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1 | Definition date: | 2012-07-31 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside |
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![ON0 ON0](https://data.pdbj.org/pdbjplus/data/cc/svg/ON0.svg) | ON0 | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside | Formula: | C30 H49 N5 O14 | SMILES: | O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)c6ccccc6 | InChi: | InChI=1S/C30H49N5O14/c31-7-13-19(38)20(39)16(34)28(43-13)48-24-14(8-36)44-30(22(24)41)49-26-18(37)11(32)6-12(33)23(26)46-29-17(35)21(40)25-15(45-29)9-42-27(47-25)10-4-2-1-3-5-10/h1-5,11-30,36-41H,6-9,31-35H2/t11-,12+,13+,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1 | Definition date: | 2012-07-26 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranoside |
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![1X3 1X3](https://data.pdbj.org/pdbjplus/data/cc/svg/1X3.svg) | 1X3 | Name: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate | Formula: | C37 H51 N5 O9 S | SMILES: | O=S(=O)(NC(=O)C23NC(=O)C6N(C(=O)C(NC(=O)OC1CCCC1)CCCCCCCC3C2)CC(OC(=O)N5Cc4c(cccc4)CC5)C6)C7CC7 | InChi: | InChI=1S/C37H51N5O9S/c43-32-31-20-28(51-36(47)41-19-18-24-10-6-7-11-25(24)22-41)23-42(31)33(44)30(38-35(46)50-27-13-8-9-14-27)15-5-3-1-2-4-12-26-21-37(26,39-32)34(45)40-52(48,49)29-16-17-29/h6-7,10-11,26-31H,1-5,8-9,12-23H2,(H,38,46)(H,39,43)(H,40,45)/t26-,28-,30+,31+,37-/m1/s1 | Definition date: | 2013-07-22 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate |
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![1Y3 1Y3](https://data.pdbj.org/pdbjplus/data/cc/svg/1Y3.svg) | 1Y3 | Name: | (3S,7R,8aR)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid | Formula: | C10 H18 N2 O3 | SMILES: | O=C(O)C1NCC2N(C1)CC(OCC)C2 | InChi: | InChI=1S/C10H18N2O3/c1-2-15-8-3-7-4-11-9(10(13)14)6-12(7)5-8/h7-9,11H,2-6H2,1H3,(H,13,14)/t7-,8-,9+/m1/s1 | Definition date: | 2013-07-30 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | (3S,7R,8aR)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid |
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![1Y4 1Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/1Y4.svg) | 1Y4 | Name: | (3S,8aR)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid | Formula: | C8 H14 N2 O2 | SMILES: | O=C(O)C2NCC1N(CCC1)C2 | InChi: | InChI=1S/C8H14N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h6-7,9H,1-5H2,(H,11,12)/t6-,7+/m1/s1 | Definition date: | 2013-07-31 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | (3S,8aR)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid |
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![1K3 1K3](https://data.pdbj.org/pdbjplus/data/cc/svg/1K3.svg) | 1K3 | Name: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine | Formula: | C24 H26 N6 O | SMILES: | n2c5cccc(c1ccc(OC)cc1)n5nc2Nc4ccc(N3CCN(C)CC3)cc4 | InChi: | InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27) | Definition date: | 2013-03-26 | Last modified: | 2013-08-02 | Release date: | 2013-08-07 | Identifier: | 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine |
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![1BG 1BG](https://data.pdbj.org/pdbjplus/data/cc/svg/1BG.svg) | 1BG | Name: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide | Formula: | C30 H45 N5 O3 | SMILES: | O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC4c3ccccc3CCC4)C5CCCCC5)C(NC)C | InChi: | InChI=1S/C30H45N5O3/c1-20(31-2)28(36)33-27(22-11-4-3-5-12-22)30(38)35-18-23-14-9-17-34(23)19-26(35)29(37)32-25-16-8-13-21-10-6-7-15-24(21)25/h6-7,10,15,20,22-23,25-27,31H,3-5,8-9,11-14,16-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,23+,25+,26-,27-/m0/s1 | Definition date: | 2012-11-26 | Last modified: | 2013-07-31 | Release date: | 2013-01-25 | Identifier: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide |
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![1AQ 1AQ](https://data.pdbj.org/pdbjplus/data/cc/svg/1AQ.svg) | 1AQ | Name: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide | Formula: | C31 H45 F2 N5 O5 | SMILES: | FC1(F)CCC(CC1)C(NC(=O)C(NC)C)C(=O)N2CC5N(CC2C(=O)NC3c4c(OCC3)cccc4)CC(OCC)C5 | InChi: | InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1 | Definition date: | 2012-11-16 | Last modified: | 2013-07-30 | Release date: | 2013-01-25 | Identifier: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide |
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![N0B N0B](https://data.pdbj.org/pdbjplus/data/cc/svg/N0B.svg) | N0B | Name: | Adenylated Norbornene | Formula: | C25 H36 N7 O10 P | SMILES: | O=C(OCC2CC1C=CC2C1)NCCCCC(N)C(=O)OP([O-])(=O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O | InChi: | InChI=1S/C25H36N7O10P/c26-16(3-1-2-6-28-25(36)39-9-15-8-13-4-5-14(15)7-13)24(35)42-43(37,38)40-10-17-19(33)20(34)23(41-17)32-12-31-18-21(27)29-11-30-22(18)32/h4-5,11-17,19-20,23,33-34H,1-3,6-10,26H2,(H,28,36)(H,37,38)(H2,27,29,30)/p-1/t13-,14+,15+,16+,17-,19-,20+,23+/m0/s1 | Definition date: | 2013-07-01 | Last modified: | 2013-07-26 | Release date: | 2013-07-31 | Identifier: | 9-[5-O-({[(2R)-2-amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}phosphinato)-alpha-L-arabinofuranosyl]-9H-purin-6-amine |
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![RCZ RCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RCZ.svg) | RCZ | Name: | Ru(TAP)2(Cl-dppz) complex | Formula: | C38 H21 Cl N12 Ru | SMILES: | Clc2ccc1nc3c6c5c4c(c3nc1c2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13 | InChi: | InChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15 | Definition date: | 2013-01-09 | Last modified: | 2013-07-12 | Release date: | 2013-07-17 | Identifier: | (11-chlorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
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