General Information of the Compound
| Compound ID |
CP0576650
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| Compound Name |
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C29H29F3N2O3S
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| Molecular Weight |
542.623
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C(C)C)c(Cc4ccc(cc4)C(F)(F)F)cc3c2)cc1
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| InChI |
InChI=1S/C29H29F3N2O3S/c1-4-38(36,37)26-12-7-21(8-13-26)18-33-28(35)22-9-14-27-23(16-22)17-25(34(27)19(2)3)15-20-5-10-24(11-6-20)29(30,31)32/h5-14,16-17,19H,4,15,18H2,1-3H3,(H,33,35)
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| InChIKey |
RGOVUCHNVVJJKB-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