General Information of the Compound
| Compound ID |
CP0543990
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| Compound Name |
N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxamide
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| Structure |
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| Formula |
C29H28F4N2O3S
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| Molecular Weight |
560.613
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C(C)C)c(Cc4ccc(F)cc4C(F)(F)F)cc3c2)cc1
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| InChI |
InChI=1S/C29H28F4N2O3S/c1-4-39(37,38)25-10-5-19(6-11-25)17-34-28(36)21-8-12-27-22(13-21)15-24(35(27)18(2)3)14-20-7-9-23(30)16-26(20)29(31,32)33/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,34,36)
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| InChIKey |
ZOHQFUBIWCDWOG-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