General Information of the Compound
| Compound ID |
CP0863157
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| Compound Name |
6-[2-(4-chlorophenoxy)acetyl]-3-dimethylamino-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C26H28Cl2F3N5O3
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| Molecular Weight |
586.442
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| Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)COc1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C26H27ClF3N5O3.ClH/c1-16(17-4-6-18(7-5-17)26(28,29)30)31-25-32-22-12-13-34(14-21(22)24(37)35(25)33(2)3)23(36)15-38-20-10-8-19(27)9-11-20;/h4-11,16H,12-15H2,1-3H3,(H,31,32);1H/t16-;/m0./s1
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| InChIKey |
DGBXASPVHIPQHM-NTISSMGPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound