General Information of the Compound
| Compound ID |
CP0579010
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| Compound Name |
6-[(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
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| Structure |
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| Formula |
C22H21ClF3N3O3S
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| Molecular Weight |
499.942
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(Cc3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C22H21ClF3N3O3S/c23-16-4-1-14(2-5-16)11-15-3-6-19-18(12-15)20(13-21(30)28-19)27-17-7-9-29(10-8-17)33(31,32)22(24,25)26/h1-6,12-13,17H,7-11H2,(H2,27,28,30)
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| InChIKey |
UVPIHKCQPPKGHH-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