General Information of the Compound
| Compound ID |
CP0515192
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| Compound Name |
N-[[2-chloro-4-(2-fluorophenyl)pyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H12ClF7N2O2S
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| Molecular Weight |
512.834
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| Canonical SMILES |
Fc1ccccc1-c1ccnc(Cl)c1CNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H12ClF7N2O2S/c21-18-16(14(5-6-29-18)15-3-1-2-4-17(15)22)10-30-33(31,32)13-8-11(19(23,24)25)7-12(9-13)20(26,27)28/h1-9,30H,10H2
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| InChIKey |
FEUNVYLEQIVEAF-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