Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L29RFL
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| Ligand Name |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
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| Synonyms |
CHEMBL4061908; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one; SCHEMBL20487300; BDBM50260205
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| Structure |
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Download2D MOL |
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| Formula |
C25H31Cl2N7O4
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| Canonical SMILES |
CNC1=NC=C2CN(C(=O)N(C2=N1)C3CCN(C3)C(=O)C=CCN(C)C)C4=C(C(=CC(=C4Cl)OC)OC)Cl
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| InChI |
1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1
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| InChIKey |
QMKPEUWZSPDYPV-MOEXGYKKSA-N
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| PubChem Compound ID | ||||
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