General Information of the Compound
| Compound ID |
CP0426245
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| Compound Name |
2-oxo-4-phenyl-1-(piperidin-3-ylmethyl)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H21N3O
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| Molecular Weight |
343.43
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| Canonical SMILES |
O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CC1CCCNC1
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| InChI |
InChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2
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| InChIKey |
RKKNJNXBLNMIGI-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