General Information of the Compound
| Compound ID |
CP0512179
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| Compound Name |
1-[6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,4-dihydroquinazolin-3-yl]-2-hydroxyethanone
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| Formula |
C22H25ClN4O3
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| Molecular Weight |
428.92
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)CO
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| InChI |
InChI=1S/C22H25ClN4O3/c1-16-4-2-3-5-19(16)24-8-10-25(11-9-24)22(30)27-15-26(21(29)14-28)13-17-12-18(23)6-7-20(17)27/h2-7,12,28H,8-11,13-15H2,1H3
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| InChIKey |
PXYKCPRFWVMSNW-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