![XYI XYI](https://data.pdbj.org/pdbjplus/data/cc/svg/XYI.svg) | XYI | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide | Formula: | C30 H38 N6 O2 | SMILES: | CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | InChi: | InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37) | Definition date: | 2023-11-14 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide |
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![WKE WKE](https://data.pdbj.org/pdbjplus/data/cc/svg/WKE.svg) | WKE | Name: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide | Formula: | C11 H20 N2 O7 | SMILES: | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO | InChi: | InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1 | Definition date: | 2023-05-17 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide |
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![XYR XYR](https://data.pdbj.org/pdbjplus/data/cc/svg/XYR.svg) | XYR | Name: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | Formula: | C28 H32 F2 N6 O2 | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | InChi: | InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37) | Definition date: | 2023-11-14 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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![VOB VOB](https://data.pdbj.org/pdbjplus/data/cc/svg/VOB.svg) | VOB | Name: | ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine | Formula: | C12 H18 N2 O3 | SMILES: | CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O | InChi: | InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3/q+4 | Definition date: | 2023-03-21 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine |
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![VOF VOF](https://data.pdbj.org/pdbjplus/data/cc/svg/VOF.svg) | VOF | Name: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone | Formula: | C10 H8 F2 N3 O | SMILES: | F[CH](n1c[n](F)cn1)C(=O)c2ccccc2 | InChi: | InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1 | Definition date: | 2023-03-21 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone |
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![YIA YIA](https://data.pdbj.org/pdbjplus/data/cc/svg/YIA.svg) | YIA | Name: | ~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | Formula: | C35 H39 F2 N4 O3 | SMILES: | C[N]1(CCCc2ccccc2)CCN(CC1)C(=O)N(Cc3oc(cc3)C(=O)NCCc4ccc(F)cc4)c5ccc(F)cc5 | InChi: | InChI=1S/C35H39F2N4O3/c1-41(23-5-8-27-6-3-2-4-7-27)24-21-39(22-25-41)35(43)40(31-15-13-30(37)14-16-31)26-32-17-18-33(44-32)34(42)38-20-19-28-9-11-29(36)12-10-28/h2-4,6-7,9-18H,5,8,19-26H2,1H3,(H,38,42) | Definition date: | 2023-06-19 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | ~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-methyl-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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![YJ6 YJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/YJ6.svg) | YJ6 | Name: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | Formula: | C41 H41 Cl2 F2 N4 O3 | SMILES: | Fc1ccc(CCNC(=O)c2oc(CN(C(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)c6ccc(F)cc6)cc2)cc1 | InChi: | InChI=1S/C41H41Cl2F2N4O3/c42-37-18-10-32(27-38(37)43)29-49(24-4-7-30-5-2-1-3-6-30)25-22-47(23-26-49)41(51)48(35-15-13-34(45)14-16-35)28-36-17-19-39(52-36)40(50)46-21-20-31-8-11-33(44)12-9-31/h1-3,5-6,8-19,27H,4,7,20-26,28-29H2,(H,46,50) | Synonyms: | -(3,4-Dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Definition date: | 2023-06-19 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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![YJK YJK](https://data.pdbj.org/pdbjplus/data/cc/svg/YJK.svg) | YJK | Name: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide | Formula: | C35 H38 Cl2 F N4 O3 | SMILES: | Fc1ccc(CCNC(=O)c2oc(CNC(=O)N3CC[N](CCCc4ccccc4)(CC3)Cc5ccc(Cl)c(Cl)c5)cc2)cc1 | InChi: | InChI=1S/C35H38Cl2FN4O3/c36-31-14-10-28(23-32(31)37)25-42(20-4-7-26-5-2-1-3-6-26)21-18-41(19-22-42)35(44)40-24-30-13-15-33(45-30)34(43)39-17-16-27-8-11-29(38)12-9-27/h1-3,5-6,8-15,23H,4,7,16-22,24-25H2,(H,39,43)(H,40,44) | Definition date: | 2023-06-19 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide |
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![W5F W5F](https://data.pdbj.org/pdbjplus/data/cc/svg/W5F.svg) | W5F | Name: | ALX5407 | Formula: | C24 H24 F N O3 | SMILES: | CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O | InChi: | InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1 | Synonyms: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid | Definition date: | 2023-09-20 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 2-[[(3~{R})-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methyl-amino]ethanoic acid |
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![W5O W5O](https://data.pdbj.org/pdbjplus/data/cc/svg/W5O.svg) | W5O | Name: | SSR504734 | Formula: | C20 H20 Cl F3 N2 O | SMILES: | FC(F)(F)c1cccc(C(=O)N[CH]([CH]2CCCCN2)c3ccccc3)c1Cl | InChi: | InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m1/s1 | Synonyms: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide | Definition date: | 2023-09-20 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 2-chloranyl-~{N}-[(~{R})-phenyl-[(2~{R})-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide |
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![Y2I Y2I](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2I.svg) | Y2I | Name: | N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | Formula: | C30 H36 N6 O2 | SMILES: | CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1 | InChi: | InChI=1S/C30H36N6O2/c1-20-6-9-28(38-11-10-34(3)4)15-29(20)30(37)33-21(2)22-12-23(25-16-31-35(5)18-25)14-24(13-22)26-17-32-36(19-26)27-7-8-27/h6,9,12-19,21,27H,7-8,10-11H2,1-5H3,(H,33,37) | Definition date: | 2023-11-14 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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![W5X W5X](https://data.pdbj.org/pdbjplus/data/cc/svg/W5X.svg) | W5X | Name: | PF-3463275 | Formula: | C19 H22 Cl F N4 O | SMILES: | CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 | InChi: | InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15- | Synonyms: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | Definition date: | 2023-09-20 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide |
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![Y2N Y2N](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2N.svg) | Y2N | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide | Formula: | C27 H31 N5 O2 S | SMILES: | CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c1)c1cncs1)c1cn(C)nc1 | InChi: | InChI=1S/C27H31N5O2S/c1-18-6-7-24(34-9-8-31(3)4)13-25(18)27(33)30-19(2)20-10-21(23-14-29-32(5)16-23)12-22(11-20)26-15-28-17-35-26/h6-7,10-17,19H,8-9H2,1-5H3,(H,30,33) | Definition date: | 2023-11-14 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide |
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![Y2R Y2R](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2R.svg) | Y2R | Name: | N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | Formula: | C29 H33 N3 O2 S2 | SMILES: | NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | InChi: | InChI=1S/C29H33N3O2S2/c1-19-7-8-24(34-12-11-32(3)4)17-26(19)29(33)31-20(2)21-14-22(27-6-5-13-35-27)16-23(15-21)28-10-9-25(18-30)36-28/h5-10,13-17,20H,11-12,18,30H2,1-4H3,(H,31,33) | Definition date: | 2023-11-14 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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![MKX MKX](https://data.pdbj.org/pdbjplus/data/cc/svg/MKX.svg) | MKX | Name: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C15 H19 N6 O10 P | SMILES: | C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | InChi: | InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1 | Synonyms: | cyclic N6-threonylcarbamoyladenosine 5'-monophosphate | Definition date: | 2022-12-26 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
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![OBX OBX](https://data.pdbj.org/pdbjplus/data/cc/svg/OBX.svg) | OBX | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C14 H27 N7 O7 P | SMILES: | NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1 | Synonyms: | agmatidine | Definition date: | 2023-01-30 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![Q2F Q2F](https://data.pdbj.org/pdbjplus/data/cc/svg/Q2F.svg) | Q2F | Name: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide | Formula: | C26 H34 F N5 O6 S | SMILES: | CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12 | InChi: | InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18- | Definition date: | 2022-10-11 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide |
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![BYW BYW](https://data.pdbj.org/pdbjplus/data/cc/svg/BYW.svg) | BYW | Name: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide | Formula: | C18 H17 F3 N2 O4 | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO | InChi: | InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1 | Definition date: | 2023-04-24 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide |
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![RY3 RY3](https://data.pdbj.org/pdbjplus/data/cc/svg/RY3.svg) | RY3 | Name: | (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol | Formula: | C12 H15 N O7 | SMILES: | C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1 | Definition date: | 2023-04-04 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol |
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![A1H2K A1H2K](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H2K.svg) | A1H2K | Name: | 7.10 monoacylglycerol (S-form) | Formula: | C20 H38 O4 | SMILES: | CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1 | Synonyms: | [(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate | Definition date: | 2024-01-19 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate |
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![A1AEQ A1AEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AEQ.svg) | A1AEQ | Name: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal | Formula: | C16 H17 N O S | SMILES: | C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C | InChi: | InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+ | Definition date: | 2024-02-13 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal |
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![ILR ILR](https://data.pdbj.org/pdbjplus/data/cc/svg/ILR.svg) | ILR | Name: | Spiroimine (+)-4 R | Formula: | C13 H21 N O2 | SMILES: | CC1=NCCC[C]12CCCCC23OCCO3 | InChi: | InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1 | Synonyms: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene | Definition date: | 2023-08-01 | Last modified: | 2024-03-29 | Release date: | 2024-04-03 | Identifier: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene |
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![MA6 MA6](https://data.pdbj.org/pdbjplus/data/cc/svg/MA6.svg) | MA6 | Name: | 6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE | Formula: | C12 H18 N5 O7 P | SMILES: | CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | InChi: | InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-03-27 | Identifier: | N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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![WAL WAL](https://data.pdbj.org/pdbjplus/data/cc/svg/WAL.svg) | WAL | Name: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine | Formula: | C19 H22 N8 | SMILES: | Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1 | InChi: | InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1 | Definition date: | 2023-09-28 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine |
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![UKI UKI](https://data.pdbj.org/pdbjplus/data/cc/svg/UKI.svg) | UKI | Name: | N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide | Formula: | C24 H28 N6 O3 S | SMILES: | CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1 | InChi: | InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29) | Synonyms: | Sulfatinib | Definition date: | 2023-06-08 | Last modified: | 2024-03-22 | Release date: | 2024-03-27 | Identifier: | ~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide |
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