![1CH 1CH](https://data.pdbj.org/pdbjplus/data/cc/svg/1CH.svg) | 1CH | Name: | N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine | Formula: | C20 H22 N2 O2 | SMILES: | O=C(O)C(NC1=NC(Cc2ccccc12)(C)C)Cc3ccccc3 | InChi: | InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)/t17-/m0/s1 | Definition date: | 2012-12-06 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine |
|
![1EX 1EX](https://data.pdbj.org/pdbjplus/data/cc/svg/1EX.svg) | 1EX | Name: | (11Z,13Z)-hexadeca-11,13-dien-1-ol | Formula: | C16 H30 O | SMILES: | OCCCCCCCCCC/C=CC=C/CC | InChi: | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,17H,2,7-16H2,1H3/b4-3-,6-5- | Definition date: | 2013-01-08 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (11Z,13Z)-hexadeca-11,13-dien-1-ol |
|
![1EY 1EY](https://data.pdbj.org/pdbjplus/data/cc/svg/1EY.svg) | 1EY | Name: | (11Z,13Z)-hexadeca-11,13-dienal | Formula: | C16 H28 O | SMILES: | O=CCCCCCCCCC/C=CC=C/CC | InChi: | InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5- | Definition date: | 2013-01-08 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (11Z,13Z)-hexadeca-11,13-dienal |
|
![1F2 1F2](https://data.pdbj.org/pdbjplus/data/cc/svg/1F2.svg) | 1F2 | Name: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate | Formula: | C41 H64 N4 O11 | SMILES: | O=C4OC5(C(OC(=O)C(C(OC(=O)N2C(c1cccnc1)CCC2)C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5N4)C)C)C)CC)C | InChi: | InChI=1S/C41H64N4O11/c1-12-30-41(8)34(43-38(49)56-41)24(4)31(46)22(2)20-40(7,51-11)35(55-37-32(47)29(44(9)10)19-23(3)52-37)25(5)33(26(6)36(48)53-30)54-39(50)45-18-14-16-28(45)27-15-13-17-42-21-27/h13,15,17,21-26,28-30,32-35,37,47H,12,14,16,18-20H2,1-11H3,(H,43,49)/t22-,23-,24+,25+,26-,28-,29+,30-,32-,33+,34-,35-,37+,40-,41-/m1/s1 | Definition date: | 2013-01-10 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate |
|
![1F3 1F3](https://data.pdbj.org/pdbjplus/data/cc/svg/1F3.svg) | 1F3 | Name: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate | Formula: | C44 H66 N4 O12 | SMILES: | O=C(Nc1ccc(cc1)C2N(C=CC2)C(=O)OC4C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5NC(=O)OC5(C(OC(=O)C4C)CC)C)C)C)C | InChi: | InChI=1S/C44H66N4O12/c1-13-33-44(9)37(46-41(53)60-44)25(4)34(50)23(2)22-43(8,55-12)38(59-40-35(51)32(47(10)11)21-24(3)56-40)26(5)36(27(6)39(52)57-33)58-42(54)48-20-14-15-31(48)29-16-18-30(19-17-29)45-28(7)49/h14,16-20,23-27,31-33,35-38,40,51H,13,15,21-22H2,1-12H3,(H,45,49)(H,46,53)/t23-,24-,25+,26+,27-,31-,32+,33-,35-,36+,37-,38-,40+,43-,44-/m1/s1 | Definition date: | 2013-01-10 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate |
|
![1F4 1F4](https://data.pdbj.org/pdbjplus/data/cc/svg/1F4.svg) | 1F4 | Name: | (3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate | Formula: | C43 H68 N4 O11 | SMILES: | O=C4OC5(C(OC(=O)C(C(OC(=O)N2C(c1cccnc1)CC(C)(C)C2)C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5N4)C)C)C)CC)C | InChi: | InChI=1S/C43H68N4O11/c1-14-31-43(10)35(45-39(51)58-43)25(4)32(48)23(2)19-42(9,53-13)36(57-38-33(49)29(46(11)12)18-24(3)54-38)26(5)34(27(6)37(50)55-31)56-40(52)47-22-41(7,8)20-30(47)28-16-15-17-44-21-28/h15-17,21,23-27,29-31,33-36,38,49H,14,18-20,22H2,1-13H3,(H,45,51)/t23-,24-,25-,26+,27-,29+,30-,31-,33-,34+,35-,36-,38+,42-,43-/m1/s1 | Definition date: | 2013-01-10 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate |
|
![3ZA 3ZA](https://data.pdbj.org/pdbjplus/data/cc/svg/3ZA.svg) | 3ZA | Name: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid | Formula: | C9 H16 N2 O6 | SMILES: | O=C(N(O)C)CCC(C(=O)O)CC(C(=O)O)N | InChi: | InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1 | Definition date: | 2012-12-27 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid |
|
![DNX DNX](https://data.pdbj.org/pdbjplus/data/cc/svg/DNX.svg) | DNX | Name: | 3,4-dinitrophenol | Formula: | C6 H4 N2 O5 | SMILES: | O=[N+]([O-])c1c(ccc(O)c1)[N+]([O-])=O | InChi: | InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H | Definition date: | 2012-03-09 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | 3,4-dinitrophenol |
|
![FSK FSK](https://data.pdbj.org/pdbjplus/data/cc/svg/FSK.svg) | FSK | Name: | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | Formula: | C10 H13 F N2 O3 | SMILES: | O=C1C(=C(C=C(/CF)CO)N(C(=O)N1)C)C | InChi: | InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+ | Definition date: | 2013-02-21 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 | Identifier: | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
|
![F07 F07](https://data.pdbj.org/pdbjplus/data/cc/svg/F07.svg) | F07 | Name: | THIENO[3,2-C][1,6]NAPHTHYRIDINE | Formula: | C10 H6 N2 S | SMILES: | s1ccc2cnc3ccncc3c12 | InChi: | InChI=1S/C10H6N2S/c1-3-11-6-8-9(1)12-5-7-2-4-13-10(7)8/h1-6H | Definition date: | 2011-01-18 | Last modified: | 2013-03-01 | Release date: | 2013-03-06 |
|
![VWS VWS](https://data.pdbj.org/pdbjplus/data/cc/svg/VWS.svg) | VWS | Name: | 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid | Formula: | C16 H12 Cl N O5 S | SMILES: | Clc1ccc(cc1)S(=O)(=O)Nc3cc2c(oc(c2C(=O)O)C)cc3 | InChi: | InChI=1S/C16H12ClNO5S/c1-9-15(16(19)20)13-8-11(4-7-14(13)23-9)18-24(21,22)12-5-2-10(17)3-6-12/h2-8,18H,1H3,(H,19,20) | Definition date: | 2012-09-12 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid |
|
![0LZ 0LZ](https://data.pdbj.org/pdbjplus/data/cc/svg/0LZ.svg) | 0LZ | Name: | N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide | Formula: | C18 H17 Cl F N3 O2 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NCC3c2c(cccc2)CCN3 | InChi: | InChI=1S/C18H17ClFN3O2/c19-14-6-5-12(9-15(14)20)23-18(25)17(24)22-10-16-13-4-2-1-3-11(13)7-8-21-16/h1-6,9,16,21H,7-8,10H2,(H,22,24)(H,23,25)/t16-/m1/s1 | Definition date: | 2012-02-27 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide |
|
![0M1 0M1](https://data.pdbj.org/pdbjplus/data/cc/svg/0M1.svg) | 0M1 | Name: | N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C15 H19 Cl F N3 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NCC2OC(OC2CN)(C)C | InChi: | InChI=1S/C15H19ClFN3O4/c1-15(2)23-11(6-18)12(24-15)7-19-13(21)14(22)20-8-3-4-9(16)10(17)5-8/h3-5,11-12H,6-7,18H2,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1 | Definition date: | 2012-11-08 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide |
|
![0M4 0M4](https://data.pdbj.org/pdbjplus/data/cc/svg/0M4.svg) | 0M4 | Name: | N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide | Formula: | C16 H19 Cl F N3 O2 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NCC32CCCC3CNC2 | InChi: | InChI=1S/C16H19ClFN3O2/c17-12-4-3-11(6-13(12)18)21-15(23)14(22)20-9-16-5-1-2-10(16)7-19-8-16/h3-4,6,10,19H,1-2,5,7-9H2,(H,20,22)(H,21,23)/t10-,16+/m1/s1 | Definition date: | 2012-02-27 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide |
|
![0M5 0M5](https://data.pdbj.org/pdbjplus/data/cc/svg/0M5.svg) | 0M5 | Name: | N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide | Formula: | C16 H19 Cl F N3 O2 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NCC3CCN(C2CC2)C3 | InChi: | InChI=1S/C16H19ClFN3O2/c17-13-4-1-11(7-14(13)18)20-16(23)15(22)19-8-10-5-6-21(9-10)12-2-3-12/h1,4,7,10,12H,2-3,5-6,8-9H2,(H,19,22)(H,20,23)/t10-/m1/s1 | Definition date: | 2012-02-27 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-(4-chloro-3-fluorophenyl)-N'-{[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide |
|
![0WG 0WG](https://data.pdbj.org/pdbjplus/data/cc/svg/0WG.svg) | 0WG | Name: | 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione | Formula: | C16 H16 Br N5 O2 | SMILES: | Brc1ccccc1c3c(c(nc2c3C(=O)N(C(=O)N2C)C)N)CN | InChi: | InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20) | Definition date: | 2012-07-24 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
|
![0X3 0X3](https://data.pdbj.org/pdbjplus/data/cc/svg/0X3.svg) | 0X3 | Name: | N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | Formula: | C12 H6 Cl F N4 O3 | SMILES: | Fc1cc(cc(Cl)c1)Nc2ccc3nonc3c2[N+]([O-])=O | InChi: | InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H | Definition date: | 2012-08-22 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
|
![0XZ 0XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/0XZ.svg) | 0XZ | Name: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide | Formula: | C21 H25 Cl N6 O2 | SMILES: | Clc1ccc(cc1)C(NC(=O)C4(N)CCN(c2ncnc3c2ccn3)CC4)CCO | InChi: | InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1 | Definition date: | 2012-09-07 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide |
|
![10Z 10Z](https://data.pdbj.org/pdbjplus/data/cc/svg/10Z.svg) | 10Z | Name: | N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine | Formula: | C23 H23 N5 O | SMILES: | n3c1c(cc(cc1)c2ccncc2)cnc3Nc4ccc(cc4)CNCCOC | InChi: | InChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28) | Definition date: | 2012-09-28 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine |
|
![18W 18W](https://data.pdbj.org/pdbjplus/data/cc/svg/18W.svg) | 18W | Name: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid | Formula: | C20 H22 N2 O9 | SMILES: | O=C2C(=C(C(=Cc1c(c(c(n1)C)CC(=O)O)CCC(=O)O)N2)CC(=O)O)CCC(=O)O | InChi: | InChI=1S/C20H22N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h8,21H,2-7H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b15-8- | Definition date: | 2012-11-08 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid |
|
![1F6 1F6](https://data.pdbj.org/pdbjplus/data/cc/svg/1F6.svg) | 1F6 | Name: | (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | Formula: | C21 H20 F3 N3 O3 | SMILES: | FC(F)(F)c3ccc1c(N(C(=O)/C(C(=O)N1C)=CNCCOC)c2ccccc2)c3 | InChi: | InChI=1S/C21H20F3N3O3/c1-26-17-9-8-14(21(22,23)24)12-18(17)27(15-6-4-3-5-7-15)20(29)16(19(26)28)13-25-10-11-30-2/h3-9,12-13,25H,10-11H2,1-2H3/b16-13- | Definition date: | 2013-02-01 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione |
|
![C58 C58](https://data.pdbj.org/pdbjplus/data/cc/svg/C58.svg) | C58 | Name: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine | Formula: | C24 H25 N5 S | SMILES: | n1ccc(cc1)c2nc(c3c(n2)sc4c3CCCC4)NCC(N)Cc5ccccc5 | InChi: | InChI=1S/C24H25N5S/c25-18(14-16-6-2-1-3-7-16)15-27-23-21-19-8-4-5-9-20(19)30-24(21)29-22(28-23)17-10-12-26-13-11-17/h1-3,6-7,10-13,18H,4-5,8-9,14-15,25H2,(H,27,28,29)/t18-/m0/s1 | Definition date: | 2012-12-20 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine |
|
![D1C D1C](https://data.pdbj.org/pdbjplus/data/cc/svg/D1C.svg) | D1C | Name: | 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide | Formula: | C16 H19 F3 N4 O4 S2 | SMILES: | O=S(=O)(N)c1ccc(cc1)CNS(=O)(=O)NCC(N)Cc2cc(F)c(F)cc2F | InChi: | InChI=1S/C16H19F3N4O4S2/c17-14-7-16(19)15(18)6-11(14)5-12(20)9-23-29(26,27)22-8-10-1-3-13(4-2-10)28(21,24)25/h1-4,6-7,12,22-23H,5,8-9,20H2,(H2,21,24,25)/t12-/m1/s1 | Definition date: | 2012-02-21 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide |
|
![D5C D5C](https://data.pdbj.org/pdbjplus/data/cc/svg/D5C.svg) | D5C | Name: | N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide | Formula: | C24 H20 F6 N2 O | SMILES: | Fc1cc(c(F)cc1F)CC(N)CCNC(=O)c3ccc(c2cccc(c2)C(F)(F)F)cc3 | InChi: | InChI=1S/C24H20F6N2O/c25-20-13-22(27)21(26)12-17(20)11-19(31)8-9-32-23(33)15-6-4-14(5-7-15)16-2-1-3-18(10-16)24(28,29)30/h1-7,10,12-13,19H,8-9,11,31H2,(H,32,33)/t19-/m0/s1 | Definition date: | 2012-02-21 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide |
|
![DC3 DC3](https://data.pdbj.org/pdbjplus/data/cc/svg/DC3.svg) | DC3 | Name: | (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine | Formula: | C19 H19 F3 N4 | SMILES: | Fc1cc(c(F)cc1F)CC(N)CCn2nnc(c2)c3cccc(c3)C | InChi: | InChI=1S/C19H19F3N4/c1-12-3-2-4-13(7-12)19-11-26(25-24-19)6-5-15(23)8-14-9-17(21)18(22)10-16(14)20/h2-4,7,9-11,15H,5-6,8,23H2,1H3/t15-/m0/s1 | Definition date: | 2012-02-21 | Last modified: | 2013-02-22 | Release date: | 2013-02-22 | Identifier: | (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
|