General Information of the Compound
| Compound ID |
CP0543989
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| Compound Name |
2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-(2-fluoroethyl)indole-5-carboxamide
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| Structure |
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| Formula |
C28H25ClF4N2O3S
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| Molecular Weight |
581.031
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CCF)c(Cc4ccc(Cl)cc4C(F)(F)F)cc3c2)cc1
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| InChI |
InChI=1S/C28H25ClF4N2O3S/c1-2-39(37,38)24-8-3-18(4-9-24)17-34-27(36)20-6-10-26-21(13-20)15-23(35(26)12-11-30)14-19-5-7-22(29)16-25(19)28(31,32)33/h3-10,13,15-16H,2,11-12,14,17H2,1H3,(H,34,36)
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| InChIKey |
ZWGQEQGXBNGIRS-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