![0CG 0CG](https://data.pdbj.org/pdbjplus/data/cc/svg/0CG.svg) | 0CG | Name: | prop-2-yn-1-yl trihydrogen diphosphate | Formula: | C3 H6 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(OCC#C)O | InChi: | InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6) | Definition date: | 2011-12-08 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | prop-2-yn-1-yl trihydrogen diphosphate |
|
![0CH 0CH](https://data.pdbj.org/pdbjplus/data/cc/svg/0CH.svg) | 0CH | Name: | 4-hydroxybutyl trihydrogen diphosphate | Formula: | C4 H12 O8 P2 | SMILES: | O=P(O)(O)OP(=O)(OCCCCO)O | InChi: | InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8) | Definition date: | 2011-12-08 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 4-hydroxybutyl trihydrogen diphosphate |
|
![0CJ 0CJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0CJ.svg) | 0CJ | Name: | 4-oxopentyl trihydrogen diphosphate | Formula: | C5 H12 O8 P2 | SMILES: | O=P(O)(O)OP(=O)(OCCCC(=O)C)O | InChi: | InChI=1S/C5H12O8P2/c1-5(6)3-2-4-12-15(10,11)13-14(7,8)9/h2-4H2,1H3,(H,10,11)(H2,7,8,9) | Definition date: | 2011-12-08 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 4-oxopentyl trihydrogen diphosphate |
|
![0CM 0CM](https://data.pdbj.org/pdbjplus/data/cc/svg/0CM.svg) | 0CM | Name: | but-2-yn-1-yl trihydrogen diphosphate | Formula: | C4 H8 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(OCC#CC)O | InChi: | InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7) | Definition date: | 2011-12-08 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | but-2-yn-1-yl trihydrogen diphosphate |
|
![0CN 0CN](https://data.pdbj.org/pdbjplus/data/cc/svg/0CN.svg) | 0CN | Name: | buta-2,3-dien-1-yl trihydrogen diphosphate | Formula: | C4 H8 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(OCC=C=C)O | InChi: | InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7) | Definition date: | 2011-12-15 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | buta-2,3-dien-1-yl trihydrogen diphosphate |
|
![0J9 0J9](https://data.pdbj.org/pdbjplus/data/cc/svg/0J9.svg) | 0J9 | Name: | 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H19 N5 | SMILES: | n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N | InChi: | InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22) | Definition date: | 2012-08-13 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
|
![0JN 0JN](https://data.pdbj.org/pdbjplus/data/cc/svg/0JN.svg) | 0JN | Name: | 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C20 H21 N5 | SMILES: | n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)(C)C)N | InChi: | InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23) | Definition date: | 2012-08-13 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
|
![0JX 0JX](https://data.pdbj.org/pdbjplus/data/cc/svg/0JX.svg) | 0JX | Name: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate | Formula: | C4 H10 O8 P2 | SMILES: | O=P(O)(O)OP(=O)(OCCC=CO)O | InChi: | InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h1,3,5H,2,4H2,(H,9,10)(H2,6,7,8)/b3-1+ | Definition date: | 2012-01-27 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate |
|
![0K2 0K2](https://data.pdbj.org/pdbjplus/data/cc/svg/0K2.svg) | 0K2 | Name: | 4-oxobutyl trihydrogen diphosphate | Formula: | C4 H10 O8 P2 | SMILES: | O=P(O)(O)OP(=O)(OCCCC=O)O | InChi: | InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h3H,1-2,4H2,(H,9,10)(H2,6,7,8) | Definition date: | 2012-01-27 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 4-oxobutyl trihydrogen diphosphate |
|
![0NJ 0NJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0NJ.svg) | 0NJ | Name: | 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole | Formula: | C14 H10 F N O S | SMILES: | Fc3ccccc3c1nc2ccc(OC)cc2s1 | InChi: | InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3 | Definition date: | 2012-03-18 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole |
|
![0R1 0R1](https://data.pdbj.org/pdbjplus/data/cc/svg/0R1.svg) | 0R1 | Name: | 1,2-benzisoxazole | Formula: | C7 H5 N O | SMILES: | n2oc1ccccc1c2 | InChi: | InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H | Definition date: | 2012-04-21 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 1,2-benzoxazole |
|
![0RU 0RU](https://data.pdbj.org/pdbjplus/data/cc/svg/0RU.svg) | 0RU | Name: | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one | Formula: | C14 H12 N4 O S | SMILES: | O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3 | InChi: | InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19) | Definition date: | 2012-05-07 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one |
|
![0RY 0RY](https://data.pdbj.org/pdbjplus/data/cc/svg/0RY.svg) | 0RY | Name: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid | Formula: | C11 H10 N2 O4 | SMILES: | O=C(Nc1cc(ccc1)C(=O)N)/C=CC(=O)O | InChi: | InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4- | Definition date: | 2012-05-11 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
|
![0RZ 0RZ](https://data.pdbj.org/pdbjplus/data/cc/svg/0RZ.svg) | 0RZ | Name: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid | Formula: | C11 H10 N2 O4 | SMILES: | O=C(Nc1cc(ccc1)C(=O)N)C=CC(=O)O | InChi: | InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+ | Definition date: | 2012-05-11 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
|
![0SF 0SF](https://data.pdbj.org/pdbjplus/data/cc/svg/0SF.svg) | 0SF | Name: | (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol | Formula: | C24 H21 Cl F7 N3 O3 | SMILES: | FC(F)C(F)(F)Oc1cccc(c1)CN(c3nc(Oc2cc(c(Cl)cc2)CC)ccn3)CC(O)C(F)(F)F | InChi: | InChI=1S/C24H21ClF7N3O3/c1-2-15-11-16(6-7-18(15)25)37-20-8-9-33-22(34-20)35(13-19(36)23(28,29)30)12-14-4-3-5-17(10-14)38-24(31,32)21(26)27/h3-11,19,21,36H,2,12-13H2,1H3/t19-/m1/s1 | Definition date: | 2012-05-21 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol |
|
![0SK 0SK](https://data.pdbj.org/pdbjplus/data/cc/svg/0SK.svg) | 0SK | Name: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one | Formula: | C17 H18 F3 N3 O4 S | SMILES: | FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCC3(OCC(O3)C)CC4)NO | InChi: | InChI=1S/C17H18F3N3O4S/c1-9-8-26-16(27-9)2-4-23(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(22-25)13(11)28-15/h6-7,9,22,25H,2-5,8H2,1H3/t9-/m0/s1 | Definition date: | 2012-05-23 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one |
|
![0T6 0T6](https://data.pdbj.org/pdbjplus/data/cc/svg/0T6.svg) | 0T6 | Name: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine | Formula: | C18 H15 Cl N4 O2 | SMILES: | Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C | InChi: | InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3 | Definition date: | 2012-05-31 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine |
|
![0T7 0T7](https://data.pdbj.org/pdbjplus/data/cc/svg/0T7.svg) | 0T7 | Name: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline | Formula: | C25 H24 N4 O | SMILES: | n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C | InChi: | InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3 | Definition date: | 2012-05-31 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline |
|
![0UM 0UM](https://data.pdbj.org/pdbjplus/data/cc/svg/0UM.svg) | 0UM | Name: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid | Formula: | C18 H29 N7 O5 | SMILES: | O=C(O)C(N)CCC(NCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1 | Definition date: | 2012-06-20 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid (non-preferred name) |
|
![16Y 16Y](https://data.pdbj.org/pdbjplus/data/cc/svg/16Y.svg) | 16Y | Name: | 16-hydroxyhexadecanoic acid | Formula: | C16 H32 O3 | SMILES: | O=C(O)CCCCCCCCCCCCCCCO | InChi: | InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19) | Definition date: | 2012-08-22 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 16-hydroxyhexadecanoic acid |
|
![LDZ LDZ](https://data.pdbj.org/pdbjplus/data/cc/svg/LDZ.svg) | LDZ | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide | Formula: | C26 H41 N3 O5 | SMILES: | O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1 | Definition date: | 2012-02-13 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide |
|
![MQN MQN](https://data.pdbj.org/pdbjplus/data/cc/svg/MQN.svg) | MQN | Name: | 2-methylquinolin-6-amine | Formula: | C10 H10 N2 | SMILES: | n1c(ccc2cc(ccc12)N)C | InChi: | InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3 | Definition date: | 2012-07-23 | Last modified: | 2012-08-31 | Release date: | 2012-08-31 | Identifier: | 2-methylquinolin-6-amine |
|
![NZF NZF](https://data.pdbj.org/pdbjplus/data/cc/svg/NZF.svg) | NZF | Name: | (3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide | Formula: | C27 H30 F3 N5 O5 | SMILES: | FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4 | InChi: | InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1 | Definition date: | 2012-06-22 | Last modified: | 2012-08-24 | Release date: | 2012-08-24 | Identifier: | (3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide |
|
![09J 09J](https://data.pdbj.org/pdbjplus/data/cc/svg/09J.svg) | 09J | Name: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide | Formula: | C24 H21 Cl F N5 O2 | SMILES: | O=C(NC1CC1)c5cc(C3=Cc2nnc(n2N(C3=O)CC)c4c(F)cccc4Cl)c(cc5)C | InChi: | InChI=1S/C24H21ClFN5O2/c1-3-30-24(33)17(16-11-14(8-7-13(16)2)23(32)27-15-9-10-15)12-20-28-29-22(31(20)30)21-18(25)5-4-6-19(21)26/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,27,32) | Definition date: | 2011-11-02 | Last modified: | 2012-08-24 | Release date: | 2012-08-24 | Identifier: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide |
|
![UMC UMC](https://data.pdbj.org/pdbjplus/data/cc/svg/UMC.svg) | UMC | Name: | 2'-deoxy-5'-uridylic acid | Formula: | C9 H15 N2 O8 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O | InChi: | InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | Definition date: | 2012-08-03 | Last modified: | 2012-08-24 | Release date: | 2012-08-24 | Identifier: | 2'-deoxy-5'-uridylic acid |
|