General Information of the Compound
| Compound ID |
CP0535047
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| Compound Name |
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)sulfonylindole-5-carboxamide
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| Structure |
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| Formula |
C27H22F4N2O5S2
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| Molecular Weight |
594.608
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C27H22F4N2O5S2/c28-21-2-1-3-23(14-21)40(37,38)33-11-10-18-13-19(6-9-25(18)33)26(34)32-15-20-5-4-17(12-24(20)27(29,30)31)16-39(35,36)22-7-8-22/h1-6,9-14,22H,7-8,15-16H2,(H,32,34)
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| InChIKey |
USVZBJGUCQFZLP-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