General Information of the Compound
| Compound ID |
CP0576110
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| Compound Name |
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
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| Structure |
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| Formula |
C25H23ClF3N5O3S
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| Molecular Weight |
566.005
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)n1ccnc1
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| InChI |
InChI=1S/C25H23ClF3N5O3S/c26-18-4-1-16(2-5-18)24(33-12-9-30-15-33)17-3-6-21-20(13-17)22(14-23(35)32-21)31-19-7-10-34(11-8-19)38(36,37)25(27,28)29/h1-6,9,12-15,19,24H,7-8,10-11H2,(H2,31,32,35)
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| InChIKey |
YUEBYPWCNMZFOD-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