![XMU XMU](https://data.pdbj.org/pdbjplus/data/cc/svg/XMU.svg) | XMU | Name: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid | Formula: | C29 H31 N5 O4 | SMILES: | C[CH](NC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(CN5CCOCC5)nc4 | InChi: | InChI=1S/C29H31N5O4/c1-18(32-28(35)20-7-5-19(15-30)6-8-20)23-3-2-4-24-25(27(29(36)37)33-26(23)24)21-9-10-22(31-16-21)17-34-11-13-38-14-12-34/h2-10,16,18,33H,11-15,17,30H2,1H3,(H,32,35)(H,36,37)/t18-/m0/s1 | Definition date: | 2023-06-08 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid |
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![XMZ XMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XMZ.svg) | XMZ | Name: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | Formula: | C20 H22 N2 O3 | SMILES: | CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O | InChi: | InChI=1S/C20H22N2O3/c1-5-25-15-10-21-9-12(4)16(15)17-14-8-6-7-13(11(2)3)18(14)22-19(17)20(23)24/h6-11,22H,5H2,1-4H3,(H,23,24) | Definition date: | 2023-06-08 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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![VDC VDC](https://data.pdbj.org/pdbjplus/data/cc/svg/VDC.svg) | VDC | Name: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | Formula: | C24 H26 F N5 O4 | SMILES: | FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O | InChi: | InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1 | Definition date: | 2023-09-11 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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![JRU JRU](https://data.pdbj.org/pdbjplus/data/cc/svg/JRU.svg) | JRU | Name: | methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate | Formula: | C21 H23 N5 O5 S | SMILES: | COC(=O)c1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1 | InChi: | InChI=1S/C21H23N5O5S/c1-13(2)32(28,29)18-8-6-5-7-15(18)24-20-22-12-23-21(26-20)25-16-11-14(19(27)31-4)9-10-17(16)30-3/h5-13H,1-4H3,(H2,22,23,24,25,26) | Synonyms: | ortho-cresol,2-methylphenol | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | methyl 4-methoxy-3-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoate |
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![JSL JSL](https://data.pdbj.org/pdbjplus/data/cc/svg/JSL.svg) | JSL | Name: | ~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C20 H23 N5 O4 S | SMILES: | COc1ccc(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c(OC)c1 | InChi: | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-16(18)24-20-22-12-21-19(25-20)23-15-10-9-14(28-3)11-17(15)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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![JT4 JT4](https://data.pdbj.org/pdbjplus/data/cc/svg/JT4.svg) | JT4 | Name: | ~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C20 H23 N5 O4 S | SMILES: | COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)c1 | InChi: | InChI=1S/C20H23N5O4S/c1-13(2)30(26,27)18-8-6-5-7-15(18)23-19-21-12-22-20(25-19)24-16-11-14(28-3)9-10-17(16)29-4/h5-13H,1-4H3,(H2,21,22,23,24,25) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}4-(2,5-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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![JTR JTR](https://data.pdbj.org/pdbjplus/data/cc/svg/JTR.svg) | JTR | Name: | ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Formula: | C19 H21 N5 O3 S | SMILES: | COc1ccccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2 | InChi: | InChI=1S/C19H21N5O3S/c1-13(2)28(25,26)17-11-7-5-9-15(17)23-19-21-12-20-18(24-19)22-14-8-4-6-10-16(14)27-3/h4-13H,1-3H3,(H2,20,21,22,23,24) | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
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![JUA JUA](https://data.pdbj.org/pdbjplus/data/cc/svg/JUA.svg) | JUA | Name: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide | Formula: | C26 H36 N8 O5 S | SMILES: | COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3[S](=O)(=O)CCCNC(=O)[CH](N)CCCCN)n2)c1 | InChi: | InChI=1S/C26H36N8O5S/c1-38-18-11-12-22(39-2)21(16-18)33-26-31-17-30-25(34-26)32-20-9-3-4-10-23(20)40(36,37)15-7-14-29-24(35)19(28)8-5-6-13-27/h3-4,9-12,16-17,19H,5-8,13-15,27-28H2,1-2H3,(H,29,35)(H2,30,31,32,33,34)/t19-/m0/s1 | Definition date: | 2023-08-09 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide |
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![SIY SIY](https://data.pdbj.org/pdbjplus/data/cc/svg/SIY.svg) | SIY | Name: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol | Formula: | C32 H52 O9 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)C(C)C | InChi: | InChI=1S/C32H52O9/c1-9-31(5,6)39-15-22-26(35)27(36)28(37)30(40-22)41-29-24-20(16(2)3)12-23(33)32(24,7)13-21-18(14-38-8)10-11-19(21)17(4)25(29)34/h9,13,16-19,22-23,25-30,33-37H,1,10-12,14-15H2,2-8H3/b21-13-/t17-,18-,19+,22-,23+,25-,26-,27+,28-,29-,30-,32+/m1/s1 | Definition date: | 2022-12-15 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol |
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![SJC SJC](https://data.pdbj.org/pdbjplus/data/cc/svg/SJC.svg) | SJC | Name: | Fusicoccin 31 | Formula: | C37 H61 N O9 | SMILES: | COC[CH]1CC[C]2(C)C[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CN5CCCCC5 | InChi: | InChI=1S/C37H61NO9/c1-8-35(3,4)45-21-27-30(41)31(42)32(43)34(46-27)47-33-26(39)18-36(5)13-12-23(20-44-7)25(36)17-37(6)28(40)16-24(29(33)37)22(2)19-38-14-10-9-11-15-38/h8,17,22-23,26-28,30-34,39-43H,1,9-16,18-21H2,2-7H3/b25-17-/t22-,23-,26-,27-,28+,30-,31+,32-,33+,34-,36+,37+/m1/s1 | Synonyms: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{Z},3~{R},4~{S},8~{R},9~{R},11~{S},14~{S})-14-(methoxymethyl)-3,11-dimethyl-4,9-bis(oxidanyl)-6-[(2~{S})-1-piperidin-1-ylpropan-2-yl]-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol | Definition date: | 2022-12-15 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{Z},3~{R},4~{S},8~{R},9~{R},11~{S},14~{S})-14-(methoxymethyl)-3,11-dimethyl-4,9-bis(oxidanyl)-6-[(2~{S})-1-piperidin-1-ylpropan-2-yl]-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol |
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![SKR SKR](https://data.pdbj.org/pdbjplus/data/cc/svg/SKR.svg) | SKR | Name: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide | Formula: | C23 H37 N O5 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH](C)CNC(C)=O | InChi: | InChI=1S/C23H37NO5/c1-12(10-24-14(3)25)17-8-19(26)23(4)9-18-15(11-29-5)6-7-16(18)13(2)21(27)22(28)20(17)23/h9,12-13,15-16,19,21-22,26-28H,6-8,10-11H2,1-5H3,(H,24,25)/b18-9-/t12-,13-,15-,16+,19+,21-,22-,23+/m1/s1 | Definition date: | 2022-12-15 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,8,9-tris(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide |
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![FO6 FO6](https://data.pdbj.org/pdbjplus/data/cc/svg/FO6.svg) | FO6 | Name: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C27 H36 O3 | SMILES: | CC(C)(O)C#CC#C[C]1(C)CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H36O3/c1-19-21(17-22(28)18-24(19)29)11-10-20-9-8-15-27(5)23(20)12-16-26(27,4)14-7-6-13-25(2,3)30/h10-11,22-24,28-30H,1,8-9,12,15-18H2,2-5H3/b20-10+,21-11-/t22-,23+,24+,26+,27+/m1/s1 | Definition date: | 2023-07-20 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![A1ATQ A1ATQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ATQ.svg) | A1ATQ | Name: | ~{N}-[4-oxidanylidene-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazol-2-yl]naphthalene-1-sulfonamide | Formula: | C26 H18 N2 O4 S2 | SMILES: | O=C1N=C(NS(=O)(=O)c2cccc3ccccc32)SC1=C/c1ccccc1Oc1ccccc1 | InChi: | InChI=1S/C26H18N2O4S2/c29-25-23(17-19-10-5-7-15-22(19)32-20-12-2-1-3-13-20)33-26(27-25)28-34(30,31)24-16-8-11-18-9-4-6-14-21(18)24/h1-17H,(H,27,28,29)/b23-17- | Definition date: | 2024-05-30 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-1-sulfonamide |
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![A1ATR A1ATR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ATR.svg) | A1ATR | Name: | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide | Formula: | C26 H18 N2 O4 S2 | SMILES: | O=C1N=C(NS(=O)(=O)c2cc3ccccc3cc2)SC1=C/c1ccccc1Oc1ccccc1 | InChi: | InChI=1S/C26H18N2O4S2/c29-25-24(17-20-10-6-7-13-23(20)32-21-11-2-1-3-12-21)33-26(27-25)28-34(30,31)22-15-14-18-8-4-5-9-19(18)16-22/h1-17H,(H,27,28,29)/b24-17- | Definition date: | 2024-05-30 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | N-{(5Z)-4-oxo-5-[(2-phenoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-2-yl}naphthalene-2-sulfonamide |
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![A1D8I A1D8I](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D8I.svg) | A1D8I | Name: | ~{N},2-dimethyl-~{N}-(1-methylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine | Formula: | C17 H16 N4 S | SMILES: | Cn1ccc2cc(ccc12)N(C)c3nc(C)nc4ccsc34 | InChi: | InChI=1S/C17H16N4S/c1-11-18-14-7-9-22-16(14)17(19-11)21(3)13-4-5-15-12(10-13)6-8-20(15)2/h4-10H,1-3H3 | Definition date: | 2024-05-27 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | ~{N},2-dimethyl-~{N}-(1-methylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine |
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![A1ACY A1ACY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ACY.svg) | A1ACY | Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside | Formula: | C16 H19 N O7 | SMILES: | CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12 | InChi: | InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1 | Definition date: | 2024-01-17 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside |
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![A1IBV A1IBV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBV.svg) | A1IBV | Name: | 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Formula: | C17 H16 Cl N3 O | SMILES: | CN1C=C(C=C(C)C1=O)c2nc(Cl)cn2Cc3ccccc3 | InChi: | InChI=1S/C17H16ClN3O/c1-12-8-14(10-20(2)17(12)22)16-19-15(18)11-21(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3 | Definition date: | 2024-05-15 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 5-[4-chloranyl-1-(phenylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
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![A1ICR A1ICR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ICR.svg) | A1ICR | Name: | Polyoxidovanadate complex | Formula: | O51 V20 | SMILES: | [O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O--].[O--].[O--].[O--].[V+4][O--][V+4]1[O--][V+4][O--][V+4]2[O--][V+4]3[O--][V+4][O--][V+4]4([O--][V+4]([O--][V+4])[O--][V+4](=[O--])=[O--])[O--][V+4]5[O--][V+4][O--][V+4][O--][V+4]([O--]3)[O--][V+4]([O--][V+4])([O--]1)[O--][V+4]6[O--][V+4]([O--]5)[O--][V+4]([O--]2)([O--][V+4](=[O--])[O--]6)[O--]4 | InChi: | InChI=1S/51O.20V/q32*-2 | Synonyms: | VUF-6884 | Definition date: | 2024-06-03 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 |
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![A1LWW A1LWW](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LWW.svg) | A1LWW | Name: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide | Formula: | C24 H19 F2 N7 O2 | SMILES: | Cc1[nH]c2c(F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3C(N)=O)c(F)cc2n1 | InChi: | InChI=1S/C24H19F2N7O2/c1-3-19(34)31-14-6-4-5-13(9-14)11-33-23(27)20(24(28)35)17(32-33)8-7-15-16(25)10-18-22(21(15)26)30-12(2)29-18/h3-6,9-10H,1,11,27H2,2H3,(H2,28,35)(H,29,30)(H,31,34) | Definition date: | 2024-01-22 | Last modified: | 2024-06-21 | Release date: | 2024-06-26 | Identifier: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide |
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![WVN WVN](https://data.pdbj.org/pdbjplus/data/cc/svg/WVN.svg) | WVN | Name: | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | Formula: | C40 H56 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=C[CH]2C(=CCCC2(C)C)C | InChi: | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1 | Synonyms: | ALPHA-CAROTENE | Definition date: | 2023-10-17 | Last modified: | 2024-06-19 | Release date: | 2024-05-29 | Identifier: | 1,3,3-trimethyl-2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R})-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
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![R3W R3W](https://data.pdbj.org/pdbjplus/data/cc/svg/R3W.svg) | R3W | Name: | chloroacetic acid | Formula: | C2 H3 Cl O2 | SMILES: | ClCC(=O)O | InChi: | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) | Definition date: | 2011-03-22 | Last modified: | 2024-06-18 | Identifier: | chloroacetic acid |
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![VTE VTE](https://data.pdbj.org/pdbjplus/data/cc/svg/VTE.svg) | VTE | Name: | ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide | Formula: | C22 H22 N2 O6 | SMILES: | Oc1cc(cc(O)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4 | InChi: | InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29) | Definition date: | 2023-03-31 | Last modified: | 2024-06-14 | Release date: | 2024-06-19 | Identifier: | ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide |
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![VTR VTR](https://data.pdbj.org/pdbjplus/data/cc/svg/VTR.svg) | VTR | Name: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide | Formula: | C22 H20 Br2 N2 O6 | SMILES: | Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4 | InChi: | InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31) | Definition date: | 2023-03-31 | Last modified: | 2024-06-14 | Release date: | 2024-06-19 | Identifier: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide |
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![YMH YMH](https://data.pdbj.org/pdbjplus/data/cc/svg/YMH.svg) | YMH | Name: | ~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide | Formula: | C23 H22 N4 O3 | SMILES: | CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34 | InChi: | InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29) | Definition date: | 2023-12-05 | Last modified: | 2024-06-14 | Release date: | 2024-06-19 | Identifier: | ~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide |
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![Z5X Z5X](https://data.pdbj.org/pdbjplus/data/cc/svg/Z5X.svg) | Z5X | Name: | 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate | Formula: | C20 H16 F7 N3 O3 | SMILES: | CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O | InChi: | InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3 | Definition date: | 2023-03-06 | Last modified: | 2024-06-14 | Release date: | 2024-06-19 | Identifier: | 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate |
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