General Information of the Compound
| Compound ID |
CP0357727
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| Compound Name |
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H21F9N2O3S
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| Molecular Weight |
600.503
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| Canonical SMILES |
FC(F)(F)C(Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H21F9N2O3S/c26-23(27,28)19-9-14(13-40(38,39)18-4-5-18)1-2-17(19)11-35-22(37)16-3-6-20-15(10-16)7-8-36(20)12-21(24(29,30)31)25(32,33)34/h1-3,6-10,18,21H,4-5,11-13H2,(H,35,37)
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| InChIKey |
VRCJVWLPNQNWSH-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