![CVP CVP](https://data.pdbj.org/pdbjplus/data/cc/svg/CVP.svg) | CVP | Name: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide | Formula: | C26 H30 N6 O2 | SMILES: | c1(ccc(cc1)CNC(c3ccc(CN2CCNCC2)cc3)=O)NC(=O)NCc4cnccc4 | InChi: | InChI=1S/C26H30N6O2/c33-25(23-7-3-21(4-8-23)19-32-14-12-27-13-15-32)29-17-20-5-9-24(10-6-20)31-26(34)30-18-22-2-1-11-28-16-22/h1-11,16,27H,12-15,17-19H2,(H,29,33)(H2,30,31,34) | Definition date: | 2017-10-04 | Last modified: | 2018-09-28 | Release date: | 2018-10-03 | Identifier: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide |
|
![H94 H94](https://data.pdbj.org/pdbjplus/data/cc/svg/H94.svg) | H94 | Name: | 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile | Formula: | C19 H16 F6 N6 O2 | SMILES: | c3(C1CCN(CC1)c2cc(C(F)(F)F)c(C#N)cn2)nnc4c3C(C(F)(F)F)(O)CC(N4)=O | InChi: | InChI=1S/C19H16F6N6O2/c20-18(21,22)11-5-12(27-8-10(11)7-26)31-3-1-9(2-4-31)15-14-16(30-29-15)28-13(32)6-17(14,33)19(23,24)25/h5,8-9,33H,1-4,6H2,(H2,28,29,30,32)/t17-/m1/s1 | Definition date: | 2018-06-18 | Last modified: | 2018-09-28 | Release date: | 2018-10-03 | Identifier: | 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile |
|
![H9A H9A](https://data.pdbj.org/pdbjplus/data/cc/svg/H9A.svg) | H9A | Name: | propan-2-yl hydrogen (R)-ethylphosphonate | Formula: | C5 H13 O3 P | SMILES: | P(OC(C)C)(O)(=O)CC | InChi: | InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7) | Definition date: | 2018-06-18 | Last modified: | 2018-09-28 | Release date: | 2018-10-03 | Identifier: | propan-2-yl hydrogen (R)-ethylphosphonate |
|
![UOA UOA](https://data.pdbj.org/pdbjplus/data/cc/svg/UOA.svg) | UOA | Name: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) | Formula: | C11 H17 N2 O10 P | SMILES: | COC1C(OC(C1O)(OC)COP(O)(=O)O)N2C(NC(=O)C=C2)=O | InChi: | InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11-/m1/s1 | Definition date: | 2018-04-06 | Last modified: | 2018-09-27 | Release date: | 2018-08-29 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
|
![ALK ALK](https://data.pdbj.org/pdbjplus/data/cc/svg/ALK.svg) | ALK | Name: | methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid | Formula: | C3 H9 O4 P | SMILES: | CO[P](O)(=O)[CH](C)O | InChi: | InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1 | Definition date: | 2007-12-14 | Last modified: | 2018-09-26 | Identifier: | methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid |
|
![K2Y K2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/K2Y.svg) | K2Y | Name: | (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate | Formula: | C6 H10 O16 P4 | SMILES: | O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1O[P](O)(O)=O | InChi: | InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18) | Definition date: | 2015-07-06 | Last modified: | 2018-09-26 | Release date: | 2016-04-13 | Identifier: | (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate |
|
![P89 P89](https://data.pdbj.org/pdbjplus/data/cc/svg/P89.svg) | P89 | Name: | [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C19 H31 N2 O6 P | SMILES: | CCCCCCCCCC(=O)CN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C19H31N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,23H,3-10,12,14H2,1-2H3,(H2,24,25,26)/b20-13+ | Definition date: | 2009-06-08 | Last modified: | 2018-09-26 | Identifier: | [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
|
![6YZ 6YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6YZ.svg) | 6YZ | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid | Formula: | C11 H20 N5 O18 P5 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H20N5O18P5/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(31-11)1-30-38(26,27)32-35(19,20)4-36(21,22)33-39(28,29)34-37(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H,28,29)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2016-07-27 | Last modified: | 2018-09-26 | Release date: | 2017-10-11 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid |
|
![UPR UPR](https://data.pdbj.org/pdbjplus/data/cc/svg/UPR.svg) | UPR | Name: | 2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE | Formula: | C9 H18 N3 O14 P3 | SMILES: | P(O)(O)(O)(NP(=O)(O)OP(=O)(O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2 | InChi: | InChI=1S/C9H18N3O14P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)25-6(5)4-24-29(21,22,23)11-27(16,17)26-28(18,19)20/h1-2,5-6,8,13,21-23H,3-4H2,(H,10,14,15)(H2,11,16,17)(H2,18,19,20)/t5-,6+,8+/m0/s1 | Definition date: | 2003-12-26 | Last modified: | 2018-09-25 | Identifier: | 2'-deoxy-5'-O-[(3R)-1,1,1,3-tetrahydroxy-3-oxo-3-(phosphonooxy)-1lambda~5~,3lambda~5~-diphosphazan-1-yl]uridine |
|
![FPA FPA](https://data.pdbj.org/pdbjplus/data/cc/svg/FPA.svg) | FPA | Name: | bromo(difluoro)acetic acid | Formula: | C2 H Br F2 O2 | SMILES: | C(F)(F)(C(=O)O)Br | InChi: | InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7) | Definition date: | 1999-07-08 | Last modified: | 2018-09-25 | Identifier: | bromo(difluoro)acetic acid |
|
![8BA 8BA](https://data.pdbj.org/pdbjplus/data/cc/svg/8BA.svg) | 8BA | Name: | 8-bromo-deoxyadenosine-5'-monophosphate | Formula: | C10 H12 Br N5 O6 P | SMILES: | Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)=O)O3)c(Br)nc12 | InChi: | InChI=1S/C10H12BrN5O6P/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,12,13,14)(H,18,19,20)/t4-,5+,6+/m0/s1 | Definition date: | 2013-07-16 | Last modified: | 2018-09-25 | Release date: | 2013-07-24 | Identifier: | (2~{R},3~{S},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]oxolan-3-ol |
|
![5WO 5WO](https://data.pdbj.org/pdbjplus/data/cc/svg/5WO.svg) | 5WO | Name: | ~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide | Formula: | C22 H16 N6 O | SMILES: | O=C(Nc1ncnc2nc[nH]c12)c3cccc(c3)c4cccc(c4)n5cccc5 | InChi: | InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29) | Definition date: | 2015-12-16 | Last modified: | 2018-09-24 | Release date: | 2016-01-13 | Identifier: | ~{N}-(7~{H}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide |
|
![HJA HJA](https://data.pdbj.org/pdbjplus/data/cc/svg/HJA.svg) | HJA | Name: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid | Formula: | C14 H26 N2 O3 S | SMILES: | NCC(C(=O)S)NC(OCCCCC1CCCCC1)=O | InChi: | InChI=1S/C14H26N2O3S/c15-10-12(13(17)20)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10,15H2,(H,16,18)(H,17,20)/t12-/m0/s1 | Definition date: | 2018-07-03 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid |
|
![WTF WTF](https://data.pdbj.org/pdbjplus/data/cc/svg/WTF.svg) | WTF | Name: | [2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone | Formula: | C21 H22 F N3 O3 S2 | SMILES: | CCS(=O)(=O)c4c(C(=O)N1C(CN(CC1)c2nc3c(s2)cc(cc3)F)C)cccc4 | InChi: | InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1 | Definition date: | 2018-07-03 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | [2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone |
|
![FZB FZB](https://data.pdbj.org/pdbjplus/data/cc/svg/FZB.svg) | FZB | Name: | 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one | Formula: | C17 H22 N4 O | SMILES: | CN1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O)Nc34 | InChi: | InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12-,13-,14+ | Definition date: | 2018-08-19 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 3-methyl-8-[[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1~{H}-1,7-naphthyridin-2-one |
|
![FZE FZE](https://data.pdbj.org/pdbjplus/data/cc/svg/FZE.svg) | FZE | Name: | 8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one | Formula: | C30 H37 F2 N5 O | SMILES: | Cc1cncc(c1)c2cnc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc26)C | InChi: | InChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1 | Definition date: | 2018-08-20 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-1,7-naphthyridin-2-one |
|
![FZH FZH](https://data.pdbj.org/pdbjplus/data/cc/svg/FZH.svg) | FZH | Name: | 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one | Formula: | C30 H38 N4 O3 S | SMILES: | Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[CH](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=Cc26)C | InChi: | InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1 | Definition date: | 2018-08-20 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one |
|
![G8G G8G](https://data.pdbj.org/pdbjplus/data/cc/svg/G8G.svg) | G8G | Name: | (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate | Formula: | C12 H20 N4 O8 P2 S | SMILES: | S/C(CCOP(OP(O)(O)=O)(=O)O)=C(N(C=O)Cc1c(N)nc(C)nc1)C | InChi: | InChI=1S/C12H20N4O8P2S/c1-8(11(27)3-4-23-26(21,22)24-25(18,19)20)16(7-17)6-10-5-14-9(2)15-12(10)13/h5,7,27H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/b11-8- | Definition date: | 2018-05-14 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate |
|
![9KO 9KO](https://data.pdbj.org/pdbjplus/data/cc/svg/9KO.svg) | 9KO | Name: | N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | Formula: | C33 H32 F3 N9 O3 | SMILES: | c6cc(C(F)(F)F)cc(C(=O)Nc1ccc(c(c1)N5C(N(C)c4nc(Nc2cnc(cc2)N3CCN(C(C)=O)CC3)ncc4C5)=O)C)c6 | InChi: | InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41) | Definition date: | 2018-05-21 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide |
|
![9M3 9M3](https://data.pdbj.org/pdbjplus/data/cc/svg/9M3.svg) | 9M3 | Name: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide | Formula: | C32 H35 N7 O3 | SMILES: | c1cc(c(C)c(c1)NC(=O)c2ccc(C(C)(C)C)cc2)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N | InChi: | InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38) | Definition date: | 2018-05-31 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide |
|
![CJ4 CJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ4.svg) | CJ4 | Name: | 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide | Formula: | C21 H27 F N8 O | SMILES: | CNCCCN(C)c1nc(c(cn1)F)N4CC(C(=O)NCc2cnc3ccccn23)C4 | InChi: | InChI=1S/C21H27FN8O/c1-23-7-5-8-28(2)21-26-12-17(22)19(27-21)29-13-15(14-29)20(31)25-11-16-10-24-18-6-3-4-9-30(16)18/h3-4,6,9-10,12,15,23H,5,7-8,11,13-14H2,1-2H3,(H,25,31) | Definition date: | 2017-09-22 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide |
|
![F5Z F5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/F5Z.svg) | F5Z | Name: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide | Formula: | C29 H39 N3 O2 S | SMILES: | CC(C)Cc1ccc2ncccc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3 | InChi: | InChI=1S/C29H39N3O2S/c1-22(2)21-25-12-15-28-27(9-6-18-30-28)29(25)31-35(33,34)26-13-10-23(11-14-26)7-4-5-8-24-16-19-32(3)20-17-24/h6,9-15,18,22,24,31H,4-5,7-8,16-17,19-21H2,1-3H3 | Definition date: | 2018-06-01 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide |
|
![F65 F65](https://data.pdbj.org/pdbjplus/data/cc/svg/F65.svg) | F65 | Name: | methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate | Formula: | C30 H43 N3 O4 S | SMILES: | COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3)c1 | InChi: | InChI=1S/C30H43N3O4S/c1-32-21-17-25(18-22-32)10-6-5-9-24-11-14-27(15-12-24)38(35,36)31-28-23-26(30(34)37-2)13-16-29(28)33-19-7-3-4-8-20-33/h11-16,23,25,31H,3-10,17-22H2,1-2H3 | Definition date: | 2018-06-01 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate |
|
![FEV FEV](https://data.pdbj.org/pdbjplus/data/cc/svg/FEV.svg) | FEV | Name: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid | Formula: | C13 H17 N2 O7 P | SMILES: | OP(O)(=O)OCc1cnc(c(c1[C@H]=NC(=CCC)C(O)=O)O)C | InChi: | InChI=1S/C13H17N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h4-6,16H,3,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b11-4+,15-6+ | Definition date: | 2018-03-27 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid |
|
![ELH ELH](https://data.pdbj.org/pdbjplus/data/cc/svg/ELH.svg) | ELH | Name: | 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid | Formula: | C14 H9 N O2 S | SMILES: | OC(=O)c1csc(n1)c2cccc3ccccc23 | InChi: | InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17) | Definition date: | 2018-03-26 | Last modified: | 2018-09-21 | Release date: | 2018-09-26 | Identifier: | 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid |
|