General Information of the Compound
| Compound ID |
CP0475451
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-[3-(diethylaminomethyl)phenyl]-4-oxo-2-phenylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C31H34N4O2
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| Molecular Weight |
494.639
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| Canonical SMILES |
CCN(CC)Cc1cccc(c1)-c1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C31H34N4O2/c1-3-34(4-2)20-23-9-8-12-25(17-23)26-15-16-28-27(18-26)31(37)35(21-29(36)32-19-22-13-14-22)30(33-28)24-10-6-5-7-11-24/h5-12,15-18,22H,3-4,13-14,19-21H2,1-2H3,(H,32,36)
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| InChIKey |
FQBVQHLBZRHKKQ-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