General Information of the Compound
| Compound ID |
CP0880931
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| Compound Name |
6-(4-chlorobenzoyl)-2-(4-chlorobenzylamino)-3-methoxy-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C22H21Cl3N4O3
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| Molecular Weight |
495.794
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| Canonical SMILES |
COn1c(NCc2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
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| InChI |
InChI=1S/C22H20Cl2N4O3.ClH/c1-31-28-21(30)18-13-27(20(29)15-4-8-17(24)9-5-15)11-10-19(18)26-22(28)25-12-14-2-6-16(23)7-3-14;/h2-9H,10-13H2,1H3,(H,25,26);1H
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| InChIKey |
YTMMLRDCYQJXKX-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