General Information of the Compound
| Compound ID |
CP0959626
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| Compound Name |
6-(4-chlorobenzoyl)-2-(S)-[1-(4-chlorophenyl)ethylamino]-3-dimethylamino-5,6,7,8-terahydropydo[4,3-d]pyimidin-4-(3H)-one hydrochloride
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| Structure |
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| Formula |
C24H26Cl3N5O2
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| Molecular Weight |
522.864
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| Canonical SMILES |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1.Cl
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| InChI |
InChI=1S/C24H25Cl2N5O2.ClH/c1-15(16-4-8-18(25)9-5-16)27-24-28-21-12-13-30(14-20(21)23(33)31(24)29(2)3)22(32)17-6-10-19(26)11-7-17;/h4-11,15H,12-14H2,1-3H3,(H,27,28);1H/t15-;/m0./s1
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| InChIKey |
KGNVSMGYVIONPK-RSAXXLAASA-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