General Information of the Compound
| Compound ID |
CP0020421
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| Compound Name |
1-[3-(dimethylamino)propyl]-2-oxo-4-phenylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O
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| InChI |
InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3
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| InChIKey |
RQAGIIPBHMAHTO-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