General Information of the Compound
| Compound ID |
CP0095577
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| Compound Name |
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H16F7N3O2S
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| Molecular Weight |
579.497
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1C(F)(F)F
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| InChI |
InChI=1S/C27H16F7N3O2S/c28-19-5-8-21(9-6-19)37-25-11-4-16(12-17(25)15-35-37)23-10-7-20(14-24(23)27(32,33)34)36-40(38,39)22-3-1-2-18(13-22)26(29,30)31/h1-15,36H
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| InChIKey |
QUSYRLKUNDKEBI-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