General Information of the Compound
Compound ID |
CP0850664
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Compound Name |
6-[2-(4-chlorophenoxy)acetyl]-2-[(S)-1-(4-chlorophenyl)ethylamino]-3-dimethylamino-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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Structure |
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Formula |
C25H27Cl2N5O3
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Molecular Weight |
516.429
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Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)COc1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1
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InChI |
InChI=1S/C25H27Cl2N5O3/c1-16(17-4-6-18(26)7-5-17)28-25-29-22-12-13-31(14-21(22)24(34)32(25)30(2)3)23(33)15-35-20-10-8-19(27)9-11-20/h4-11,16H,12-15H2,1-3H3,(H,28,29)/t16-/m0/s1
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InChIKey |
SRYZAQDJCDBTBA-INIZCTEOSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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