General Information of the Compound
| Compound ID |
CP0527758
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| Compound Name |
N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C23H27N3O3S
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| Molecular Weight |
425.554
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| Canonical SMILES |
CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C23H27N3O3S/c1-30(28,29)25-15-17-6-4-8-19(12-17)21-13-23(27)26(16-18-7-5-11-24-14-18)22-10-3-2-9-20(21)22/h2-4,6,8-10,12-13,18,24-25H,5,7,11,14-16H2,1H3
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| InChIKey |
FOWVQFDPWDXNFG-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