![A1AAV A1AAV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AAV.svg) | A1AAV | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide | Formula: | C21 H23 N5 O2 S | SMILES: | Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1cc2ncsc2cc1 | InChi: | InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1 | Synonyms: | TNG908 | Definition date: | 2023-12-31 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
|
![A1AAX A1AAX](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AAX.svg) | A1AAX | Name: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid | Formula: | C30 H45 N7 O23 P4 | SMILES: | O=C(O)CCP(CCC(=O)O)(CCC(=O)O)C1C=CN(C=C1C(N)=O)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)C(O)C1O | InChi: | InChI=1S/C30H45N7O23P4/c31-26-21-28(34-12-33-26)37(13-35-21)30-25(59-62(48,49)50)23(45)16(58-30)11-56-64(53,54)60-63(51,52)55-10-15-22(44)24(46)29(57-15)36-5-1-17(14(9-36)27(32)47)61(6-2-18(38)39,7-3-19(40)41)8-4-20(42)43/h1,5,9,12-13,15-17,22-25,29-30,44-46,61H,2-4,6-8,10-11H2,(H2,32,47)(H,38,39)(H,40,41)(H,42,43)(H,51,52)(H,53,54)(H2,31,33,34)(H2,48,49,50)/t15-,16-,17-,22-,23-,24-,25-,29-,30-/m1/s1 | Definition date: | 2024-01-02 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid (non-preferred name) |
|
![A1AC8 A1AC8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AC8.svg) | A1AC8 | Name: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate | Formula: | C28 H32 N3 O6 | SMILES: | O=[N+](O)c1cccc(c1)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC1CCCN(Cc2ccccc2)C1 | InChi: | InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26H,8,13-14,16-17H2,1-3H3,(H-,29,32,33,34,35)/p+1/t23-,26-/m1/s1 | Definition date: | 2024-01-18 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | {3-[(4R)-3-({[(3R)-1-benzylpiperidin-3-yl]oxy}carbonyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl}(hydroxy)oxoammonium |
|
![A1AC9 A1AC9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AC9.svg) | A1AC9 | Name: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman | Formula: | C38 H40 N2 O6 | SMILES: | COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5CCN4C | InChi: | InChI=1S/C38H40N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,14,16,19-22,29-30H,13,15,17-18H2,1-6H3/t29-,30?/m0/s1 | Definition date: | 2024-01-18 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman |
|
![A1AHF A1AHF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AHF.svg) | A1AHF | Name: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide | Formula: | C46 H89 N O8 | SMILES: | CCCCCCCCCCCCCCCC(=O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,41,43-46,48,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,41-,43+,44+,45+,46-/m0/s1 | Definition date: | 2024-03-07 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide |
|
![A1AHJ A1AHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AHJ.svg) | A1AHJ | Name: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide | Formula: | C19 H26 Cl2 N2 O | SMILES: | Clc1cc(cc(Cl)c1)C(=O)NCC1C2CN(CCC(C)(C)C)CC21 | InChi: | InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+ | Definition date: | 2024-03-08 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide |
|
![I1K I1K](https://data.pdbj.org/pdbjplus/data/cc/svg/I1K.svg) | I1K | Name: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine | Formula: | C29 H43 N11 O4 | SMILES: | N=C(NC1CCCC1)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C29H43N11O4/c30-25-22-26(36-17-35-25)40(18-37-22)27-24(42)23(41)21(44-27)16-39(13-6-11-32-28(31)38-20-9-4-5-10-20)14-12-33-29(43)34-15-19-7-2-1-3-8-19/h1-3,7-8,17-18,20-21,23-24,27,41-42H,4-6,9-16H2,(H2,30,35,36)(H3,31,32,38)(H2,33,34,43)/t21-,23-,24-,27-/m1/s1 | Definition date: | 2023-05-01 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine |
|
![I4Y I4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/I4Y.svg) | I4Y | Name: | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid | Formula: | C14 H12 O6 S | SMILES: | COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 | InChi: | InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) | Definition date: | 2022-06-07 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid |
|
![I72 I72](https://data.pdbj.org/pdbjplus/data/cc/svg/I72.svg) | I72 | Name: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C29 H48 O3 | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C29H48O3/c1-20(10-8-16-28(3,4)32)25-12-6-7-13-26-22(11-9-17-29(25,26)5)14-15-23-18-24(30)19-27(31)21(23)2/h14-15,20,24-27,30-32H,2,6-13,16-19H2,1,3-5H3/b22-14+,23-15-/t20-,24-,25+,26+,27+,29-/m1/s1 | Definition date: | 2023-07-27 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
|
![IFU IFU](https://data.pdbj.org/pdbjplus/data/cc/svg/IFU.svg) | IFU | Name: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol | Formula: | C28 H48 O3 | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3 | InChi: | InChI=1S/C28H48O3/c1-20(9-7-15-27(2,3)31)25-11-5-6-12-26-22(10-8-16-28(25,26)4)14-13-21-17-23(29)19-24(30)18-21/h13-14,20,23-26,29-31H,5-12,15-19H2,1-4H3/b22-14+/t20-,23-,24-,25+,26+,28-/m1/s1 | Definition date: | 2023-08-01 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol |
|
![IG5 IG5](https://data.pdbj.org/pdbjplus/data/cc/svg/IG5.svg) | IG5 | Name: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol | Formula: | C31 H52 O4 | SMILES: | C[CH](CCCC(C)(C)O)[CH]1CCCC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=CCCO)[CH](O)C3 | InChi: | InChI=1S/C31H52O4/c1-22(10-7-17-30(2,3)35)26-13-5-6-14-27-24(11-8-18-31(26,27)4)16-15-23-20-28(33)25(12-9-19-32)29(34)21-23/h12,15-16,22,26-29,32-35H,5-11,13-14,17-21H2,1-4H3/b23-15-,24-16+,25-12+/t22-,26+,27+,28-,29-,31-/m1/s1 | Definition date: | 2023-08-01 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol |
|
![IQM IQM](https://data.pdbj.org/pdbjplus/data/cc/svg/IQM.svg) | IQM | Name: | 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide | Formula: | C17 H15 F N2 O2 | SMILES: | NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1 | InChi: | InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21) | Definition date: | 2023-08-02 | Last modified: | 2024-04-19 | Release date: | 2024-04-24 | Identifier: | 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide |
|
![UJ3 UJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/UJ3.svg) | UJ3 | Name: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea | Formula: | C22 H22 F N3 O3 | SMILES: | CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc4ccc(F)cc4c3C | InChi: | InChI=1S/C22H22FN3O3/c1-11(2)19(20-12(3)17-9-14(23)4-7-18(17)29-20)26-22(28)25-15-5-6-16-13(8-15)10-24-21(16)27/h4-9,11,19H,10H2,1-3H3,(H,24,27)(H2,25,26,28)/t19-/m0/s1 | Synonyms: | SCHEMBL24756013 | Definition date: | 2023-09-08 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 1-[(1~{S})-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea |
|
![VTF VTF](https://data.pdbj.org/pdbjplus/data/cc/svg/VTF.svg) | VTF | Name: | ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | Formula: | C25 H27 N7 O5 S2 | SMILES: | CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O | InChi: | InChI=1S/C25H27N7O5S2/c1-18-16-20(17-26)29-25(27-18)31-12-14-32(15-13-31)39(36,37)21-10-8-19(9-11-21)28-24(33)22-6-4-5-7-23(22)30(2)38(3,34)35/h4-11,16H,12-15H2,1-3H3,(H,28,33) | Definition date: | 2023-09-18 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide |
|
![VTK VTK](https://data.pdbj.org/pdbjplus/data/cc/svg/VTK.svg) | VTK | Name: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide | Formula: | C20 H25 N3 O5 S2 | SMILES: | CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)[S](C)(=O)=O | InChi: | InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24) | Definition date: | 2023-09-18 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide |
|
![Y5F Y5F](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5F.svg) | Y5F | Name: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide |
|
![Y5O Y5O](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5O.svg) | Y5O | Name: | 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1 | InChi: | InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide |
|
![Y5T Y5T](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5T.svg) | Y5T | Name: | 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide | Formula: | C13 H10 Cl N3 O3 | SMILES: | Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1 | InChi: | InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide |
|
![Y5X Y5X](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5X.svg) | Y5X | Name: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide | Formula: | C12 H7 Cl F N3 O3 | SMILES: | O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide |
|
![Y62 Y62](https://data.pdbj.org/pdbjplus/data/cc/svg/Y62.svg) | Y62 | Name: | 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide |
|
![WCK WCK](https://data.pdbj.org/pdbjplus/data/cc/svg/WCK.svg) | WCK | Name: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine | Formula: | C18 H20 N6 O S | SMILES: | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | Definition date: | 2023-09-29 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine |
|
![VIJ VIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VIJ.svg) | VIJ | Name: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid | Formula: | C21 H23 N O3 | SMILES: | CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1 | InChi: | InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+ | Synonyms: | N-(p-Amylcinnamoyl)anthranilic acid | Definition date: | 2023-09-13 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
|
![KJ9 KJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/KJ9.svg) | KJ9 | Name: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid | Formula: | C37 H69 O17 P | SMILES: | CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O | InChi: | InChI=1S/C37H69O17P/c1-3-5-7-9-11-13-15-17-19-21-33(43)53-29(26-49-32(42)20-18-16-14-12-10-8-6-4-2)27-52-55(47,48)51-25-28(39)24-50-37(36(45)46)22-30(40)34(44)35(54-37)31(41)23-38/h28-31,34-35,38-41,44H,3-27H2,1-2H3,(H,45,46)(H,47,48)/t28-,29+,30+,31+,34-,35+,37+/m1/s1 | Definition date: | 2023-08-14 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid |
|
![VY9 VY9](https://data.pdbj.org/pdbjplus/data/cc/svg/VY9.svg) | VY9 | Name: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid | Formula: | C12 H23 N O4 | SMILES: | CCCCCCC[CH](CC(O)=O)NCC(O)=O | InChi: | InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17) | Definition date: | 2023-09-03 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid |
|
![ZUV ZUV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZUV.svg) | ZUV | Name: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate | Formula: | C17 H31 F N O4 P | SMILES: | FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC | InChi: | InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1 | Definition date: | 2023-04-04 | Last modified: | 2024-04-12 | Release date: | 2024-04-17 | Identifier: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate |
|