General Information of the Compound
| Compound ID |
CP0493777
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]indol-5-yl]acetamide
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| Structure |
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| Formula |
C27H25F3N2O3S
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| Molecular Weight |
514.569
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C(F)(F)F)ccc3c2)cc1
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| InChI |
InChI=1S/C27H25F3N2O3S/c1-2-36(34,35)24-10-5-20(6-11-24)17-26(33)31-23-9-12-25-21(18-23)14-16-32(25)15-13-19-3-7-22(8-4-19)27(28,29)30/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,31,33)
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| InChIKey |
RRIHUBCIXULAKZ-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