General Information of the Compound
| Compound ID |
CP0534068
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| Compound Name |
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)indole-5-carboxamide
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| Structure |
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| Formula |
C25H27F3N2O3S
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| Molecular Weight |
492.563
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| Canonical SMILES |
CC(C)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N2O3S/c1-16(2)14-30-10-9-18-12-19(5-8-23(18)30)24(31)29-13-20-4-3-17(11-22(20)25(26,27)28)15-34(32,33)21-6-7-21/h3-5,8-12,16,21H,6-7,13-15H2,1-2H3,(H,29,31)
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| InChIKey |
XYCAEUGQRYNEKK-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