![51C 51C](https://data.pdbj.org/pdbjplus/data/cc/svg/51C.svg) | 51C | Name: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol | Formula: | C14 H28 O6 | SMILES: | OC1C(OCC(C(O)C1O)OCCCCCCC)CO | InChi: | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-19-11-9-20-10(8-15)12(16)14(18)13(11)17/h10-18H,2-9H2,1H3/t10-,11+,12-,13-,14+/m1/s1 | Definition date: | 2015-07-09 | Last modified: | 2016-07-15 | Release date: | 2016-07-20 | Identifier: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol |
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![5L7 5L7](https://data.pdbj.org/pdbjplus/data/cc/svg/5L7.svg) | 5L7 | Name: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol | Formula: | C19 H21 N3 O2 | SMILES: | c1(cccc(c1C)O)OCc2cccnc2c3n(ncc3)C(C)C | InChi: | InChI=1S/C19H21N3O2/c1-13(2)22-16(9-11-21-22)19-15(6-5-10-20-19)12-24-18-8-4-7-17(23)14(18)3/h4-11,13,23H,12H2,1-3H3 | Definition date: | 2015-10-16 | Last modified: | 2016-07-15 | Release date: | 2016-07-20 | Identifier: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol |
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![6Q3 6Q3](https://data.pdbj.org/pdbjplus/data/cc/svg/6Q3.svg) | 6Q3 | Name: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL | Formula: | C8 H13 N3 O2 | SMILES: | Cc1cc(OCCCO)nc(N)n1 | InChi: | InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-2-3-12/h5,12H,2-4H2,1H3,(H2,9,10,11) | Definition date: | 2016-01-06 | Last modified: | 2016-07-15 | Release date: | 2016-07-20 | Identifier: | 3-(2-azanyl-6-methyl-pyrimidin-4-yl)oxypropan-1-ol |
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![6TC 6TC](https://data.pdbj.org/pdbjplus/data/cc/svg/6TC.svg) | 6TC | Name: | ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide | Formula: | C32 H32 N4 O3 S | SMILES: | CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2c4ccc5sccc5c4)cc1 | InChi: | InChI=1S/C32H32N4O3S/c1-22(2)39-27-11-8-24(9-12-27)20-35(16-14-30(33)37)32(38)28-19-34-36(21-23-6-4-3-5-7-23)31(28)26-10-13-29-25(18-26)15-17-40-29/h3-13,15,17-19,22H,14,16,20-21H2,1-2H3,(H2,33,37) | Definition date: | 2016-06-20 | Last modified: | 2016-07-15 | Release date: | 2016-07-20 | Identifier: | ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide |
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![6TT 6TT](https://data.pdbj.org/pdbjplus/data/cc/svg/6TT.svg) | 6TT | Name: | ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide | Formula: | C20 H19 F3 N6 O2 | SMILES: | CCC(=O)Nc1ccccc1Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F | InChi: | InChI=1S/C20H19F3N6O2/c1-3-17(30)27-15-6-4-5-7-16(15)28-18-14(20(21,22)23)11-25-19(29-18)26-12-8-13(31-2)10-24-9-12/h4-11H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29) | Definition date: | 2016-06-22 | Last modified: | 2016-07-15 | Release date: | 2016-07-20 | Identifier: | ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide |
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![FJS FJS](https://data.pdbj.org/pdbjplus/data/cc/svg/FJS.svg) | FJS | Name: | N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Formula: | C29 H23 N3 O5 | SMILES: | c1cc(ccc1OC)c2c(onc2c5cc(c3c4c(cnc3)cccc4)c(cc5O)O)NC(C6CC6)=O | InChi: | InChI=1S/C29H23N3O5/c1-36-19-10-8-16(9-11-19)26-27(32-37-29(26)31-28(35)17-6-7-17)22-12-21(24(33)13-25(22)34)23-15-30-14-18-4-2-3-5-20(18)23/h2-5,8-15,17,33-34H,6-7H2,1H3,(H,31,35) | Definition date: | 2015-07-09 | Last modified: | 2016-07-08 | Release date: | 2016-07-13 | Identifier: | N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide |
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![6J2 6J2](https://data.pdbj.org/pdbjplus/data/cc/svg/6J2.svg) | 6J2 | Name: | COENZYME F420-0 | Formula: | C19 H22 N3 O12 P | SMILES: | C(=O)(O)C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O | InChi: | InChI=1S/C19H22N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,8,13-15,23-26H,6-7H2,1H3,(H,28,29)(H,31,32)(H,21,27,30)/t8-,13-,14+,15-/m0/s1 | Definition date: | 2016-04-12 | Last modified: | 2016-07-08 | Release date: | 2016-07-13 | Identifier: | 5-O-[(S)-[(1S)-1-carboxyethoxy](hydroxy)phosphoryl]-1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol |
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![6J4 6J4](https://data.pdbj.org/pdbjplus/data/cc/svg/6J4.svg) | 6J4 | Name: | COENZYME F420-3 | Formula: | C34 H43 N6 O21 P | SMILES: | C(=O)(C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O)NC(C(O)=O)CCC(=O)NC(C(=O)O)CCC(NC(CCC(=O)O)C(=O)O)=O | InChi: | InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1 | Definition date: | 2016-04-12 | Last modified: | 2016-07-08 | Release date: | 2016-07-13 | Identifier: | (3S,8S,13S,16S,18S,21R,22S,23S)-18,21,22,23-tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3,8,13-tetracarboxylic acid 18-oxide (non-preferred name) |
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![6RV 6RV](https://data.pdbj.org/pdbjplus/data/cc/svg/6RV.svg) | 6RV | Name: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile | Formula: | C16 H8 Cl F6 N5 O S | SMILES: | FC(F)(F)c1cc(Cl)n(CC2=CC(=O)N3C(=N2)SC(=C3[CH]4C[CH]4C#N)C(F)(F)F)n1 | InChi: | InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1 | Definition date: | 2016-06-09 | Last modified: | 2016-07-08 | Release date: | 2016-07-13 | Identifier: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile |
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![6U3 6U3](https://data.pdbj.org/pdbjplus/data/cc/svg/6U3.svg) | 6U3 | Name: | 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide | Formula: | C28 H32 N4 O7 S | SMILES: | COc1ccccc1[CH](CN2C(=O)N(C(=O)c3c(C)c(sc23)c4occn4)C(C)(C)C(N)=O)OC5CCOCC5 | InChi: | InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1 | Definition date: | 2016-06-23 | Last modified: | 2016-07-08 | Release date: | 2016-07-13 | Identifier: | 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide |
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![6PK 6PK](https://data.pdbj.org/pdbjplus/data/cc/svg/6PK.svg) | 6PK | Name: | O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide | Formula: | C27 H31 N5 O5 S | SMILES: | c3ccc(CS(=O)(NC(C(=O)NCC(NCc1ccc(C(=N)N)cc1)=O)COCc2ccccc2)=O)cc3 | InChi: | InChI=1S/C27H31N5O5S/c28-26(29)23-13-11-20(12-14-23)15-30-25(33)16-31-27(34)24(18-37-17-21-7-3-1-4-8-21)32-38(35,36)19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H3,28,29)(H,30,33)(H,31,34)/t24-/m1/s1 | Definition date: | 2016-05-18 | Last modified: | 2016-07-01 | Release date: | 2016-07-06 | Identifier: | O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide |
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![6T8 6T8](https://data.pdbj.org/pdbjplus/data/cc/svg/6T8.svg) | 6T8 | Name: | N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide | Formula: | C25 H35 B N6 O5 | SMILES: | NCc1ccc(C[CH](NC(=O)c2ccccc2)C(=O)N[CH](CCCNC(N)=N)B3OCC(O)CO3)cc1 | InChi: | InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-15-20(33)16-37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t21-,22-/m0/s1 | Definition date: | 2016-06-20 | Last modified: | 2016-07-01 | Release date: | 2016-07-06 | Identifier: | ~{N}-[(2~{S})-3-[4-(aminomethyl)phenyl]-1-[[(1~{R})-4-carbamimidamido-1-(5-oxidanyl-1,3,2-dioxaborinan-2-yl)butyl]amino]-1-oxidanylidene-propan-2-yl]benzamide |
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![FC4 FC4](https://data.pdbj.org/pdbjplus/data/cc/svg/FC4.svg) | FC4 | Name: | (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide | Formula: | C20 H16 Cl N5 O4 S2 | SMILES: | c1cc(Cl)ccc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3)S(=O)(=O)N)C#N | InChi: | InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m1/s1 | Definition date: | 2016-04-11 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
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![4WO 4WO](https://data.pdbj.org/pdbjplus/data/cc/svg/4WO.svg) | 4WO | Name: | methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate | Formula: | C13 H18 N2 O2 | SMILES: | C1N(Cc2c(C1)cccc2N)CCC(OC)=O | InChi: | InChI=1S/C13H18N2O2/c1-17-13(16)6-8-15-7-5-10-3-2-4-12(14)11(10)9-15/h2-4H,5-9,14H2,1H3 | Definition date: | 2015-06-12 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
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![4WP 4WP](https://data.pdbj.org/pdbjplus/data/cc/svg/4WP.svg) | 4WP | Name: | methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate | Formula: | C13 H17 N O2 | SMILES: | C1N(Cc2c(C1)cccc2)CCC(=O)OC | InChi: | InChI=1S/C13H17NO2/c1-16-13(15)7-9-14-8-6-11-4-2-3-5-12(11)10-14/h2-5H,6-10H2,1H3 | Definition date: | 2015-06-12 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
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![4X1 4X1](https://data.pdbj.org/pdbjplus/data/cc/svg/4X1.svg) | 4X1 | Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine | Formula: | C12 H18 N2 | SMILES: | C1N(Cc2c(C1)cccc2)CCCN | InChi: | InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2 | Definition date: | 2015-06-16 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine |
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![4XC 4XC](https://data.pdbj.org/pdbjplus/data/cc/svg/4XC.svg) | 4XC | Name: | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide | Formula: | C13 H19 N3 O | SMILES: | C1N(Cc2c(C1)cccc2N)CCC(NC)=O | InChi: | InChI=1S/C13H19N3O/c1-15-13(17)6-8-16-7-5-10-3-2-4-12(14)11(10)9-16/h2-4H,5-9,14H2,1H3,(H,15,17) | Definition date: | 2015-06-16 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide |
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![4XJ 4XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4XJ.svg) | 4XJ | Name: | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C14 H22 N2 O2 | SMILES: | COCC(N2CCc1cccc(c1C2)N)COC | InChi: | InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3 | Definition date: | 2015-06-17 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine |
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![4XP 4XP](https://data.pdbj.org/pdbjplus/data/cc/svg/4XP.svg) | 4XP | Name: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) | Formula: | C9 H14 N6 | SMILES: | C(Cc1nnn(C)c1)Cc2nnn(c2)C | InChi: | InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3 | Definition date: | 2015-06-18 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) |
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![67S 67S](https://data.pdbj.org/pdbjplus/data/cc/svg/67S.svg) | 67S | Name: | {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | Formula: | C21 H27 F3 N4 O4 S | SMILES: | O=S(=O)(C)c1c(CO)ccc(c1)N2CC(C(C)C)N(CC2)c3nc(C(F)(F)F)c(cn3)CO | InChi: | InChI=1S/C21H27F3N4O4S/c1-13(2)17-10-27(16-5-4-14(11-29)18(8-16)33(3,31)32)6-7-28(17)20-25-9-15(12-30)19(26-20)21(22,23)24/h4-5,8-9,13,17,29-30H,6-7,10-12H2,1-3H3/t17-/m0/s1 | Definition date: | 2016-02-15 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol |
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![6BU 6BU](https://data.pdbj.org/pdbjplus/data/cc/svg/6BU.svg) | 6BU | Name: | N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Formula: | C20 H20 N4 O3 S | SMILES: | c3(ccc2c(NC(C1CC1)=O)nnc2c3)c5cccc(NS(=O)(=O)C4CC4)c5 | InChi: | InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25) | Definition date: | 2016-03-04 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide |
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![6KE 6KE](https://data.pdbj.org/pdbjplus/data/cc/svg/6KE.svg) | 6KE | Name: | (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide | Formula: | C20 H16 Cl N5 O4 S2 | SMILES: | c1(S(=O)(=O)N)ccc(cc1)NC(=O)C(SC=2NC(=O)C(=C(N=2)c3ccc(cc3)Cl)C#N)C | InChi: | InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
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![6L8 6L8](https://data.pdbj.org/pdbjplus/data/cc/svg/6L8.svg) | 6L8 | Name: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide | Formula: | C17 H12 F6 N6 O | SMILES: | c3c(cc(c2ncn(CC(C(=O)N)c1cncnc1)n2)cc3C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C17H12F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-5,7-8,13H,6H2,(H2,24,30)/t13-/m0/s1 | Definition date: | 2016-04-28 | Last modified: | 2016-06-24 | Release date: | 2016-06-29 | Identifier: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide |
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![SDJ SDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SDJ.svg) | SDJ | Name: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal | Formula: | C25 H35 N5 O2 | SMILES: | O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4 | InChi: | InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1 | Definition date: | 2015-07-03 | Last modified: | 2016-06-17 | Release date: | 2016-06-22 | Identifier: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal |
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![SLH SLH](https://data.pdbj.org/pdbjplus/data/cc/svg/SLH.svg) | SLH | Name: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal | Formula: | C25 H35 N5 O2 | SMILES: | C3C1C(CCCC1)CC(CNC(C=O)Cc2ncnc2)N3C(=O)CCNc4ccccc4 | InChi: | InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23-,24+/m0/s1 | Definition date: | 2015-07-03 | Last modified: | 2016-06-17 | Release date: | 2016-06-22 | Identifier: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal |
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