General Information of the Compound
| Compound ID |
CP0422785
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| Compound Name |
N-(3-chlorophenyl)-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C26H22ClN5O
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| Molecular Weight |
455.949
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| Canonical SMILES |
Cc1ccccc1-c1nc(nc2CCN(Cc12)C(=O)Nc1cccc(Cl)c1)-c1cccnc1
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| InChI |
InChI=1S/C26H22ClN5O/c1-17-6-2-3-10-21(17)24-22-16-32(26(33)29-20-9-4-8-19(27)14-20)13-11-23(22)30-25(31-24)18-7-5-12-28-15-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,33)
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| InChIKey |
PHUYENHUFVQQEU-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