General Information of the Compound
| Compound ID |
CP0896786
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| Compound Name |
6-(4-chlorobenzoyl)-3-methoxy-2-(4-trifluoromethylbenzylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C23H21Cl2F3N4O3
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| Molecular Weight |
529.346
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| Canonical SMILES |
COn1c(NCc2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
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| InChI |
InChI=1S/C23H20ClF3N4O3.ClH/c1-34-31-21(33)18-13-30(20(32)15-4-8-17(24)9-5-15)11-10-19(18)29-22(31)28-12-14-2-6-16(7-3-14)23(25,26)27;/h2-9H,10-13H2,1H3,(H,28,29);1H
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| InChIKey |
ORHYAGINPZTTLT-UHFFFAOYSA-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