Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6XLQ9
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| Ligand Name |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
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| Synonyms |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one; SCHEMBL20486745
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| Structure |
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Download2D MOL |
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| Formula |
C30H33Cl2N7O4
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| Canonical SMILES |
CN(C)CC=CC(=O)N1CCC(C1)N2C3=NC(=NC=C3CN(C2=O)C4=C(C(=CC(=C4Cl)OC)OC)Cl)NC5=CC=CC=C5
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| InChI |
1S/C30H33Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h5-11,15-16,21H,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1
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| InChIKey |
PBXZRBBBLQGCRI-MAIVGLDJSA-N
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| PubChem Compound ID | ||||
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