General Information of the Compound
| Compound ID |
CP0497125
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| Compound Name |
3-[(1-isopropylpiperidin-3-yl)methyl]-2-(2-methylphenyl)-quinazolin-4(3H)-one
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| Structure |
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
CC(C)N1CCCC(Cn2c(nc3ccccc3c2=O)-c2ccccc2C)C1
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| InChI |
InChI=1S/C24H29N3O/c1-17(2)26-14-8-10-19(15-26)16-27-23(20-11-5-4-9-18(20)3)25-22-13-7-6-12-21(22)24(27)28/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3
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| InChIKey |
VAJKBFRUBTWIIA-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