General Information of the Compound
| Compound ID |
CP0449098
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| Compound Name |
4-phenyl-1-(piperidin-3-ylmethyl)quinolin-2-one
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
O=c1cc(-c2ccccc2)c2ccccc2n1CC1CCCNC1
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| InChI |
InChI=1S/C21H22N2O/c24-21-13-19(17-8-2-1-3-9-17)18-10-4-5-11-20(18)23(21)15-16-7-6-12-22-14-16/h1-5,8-11,13,16,22H,6-7,12,14-15H2
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| InChIKey |
UNHPJHBWQMDGOZ-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