General Information of the Compound
| Compound ID |
CP0077181
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| Compound Name |
7-(4-methylsulfonylphenyl)-4-piperidin-1-ylquinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H21N3O2S
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| Molecular Weight |
391.496
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCCCC3)c(cnc2c1)C#N
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| InChI |
InChI=1S/C22H21N3O2S/c1-28(26,27)19-8-5-16(6-9-19)17-7-10-20-21(13-17)24-15-18(14-23)22(20)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12H2,1H3
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| InChIKey |
BKPYRCWWXYYEMO-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