General Information of the Compound
| Compound ID |
CP0452708
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| Compound Name |
2-oxo-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C23H23N3O
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| Molecular Weight |
357.457
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| Canonical SMILES |
O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CCCN1CCCC1
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| InChI |
InChI=1S/C23H23N3O/c24-17-20-22(18-9-2-1-3-10-18)19-11-4-5-12-21(19)26(23(20)27)16-8-15-25-13-6-7-14-25/h1-5,9-12H,6-8,13-16H2
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| InChIKey |
XJHILKIGPQHIBJ-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