General Information of the Compound
| Compound ID |
CP0557485
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| Compound Name |
6-Methyl-3-((4-(trifluoromethyl)phenyl)thio)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C17H12F3NO2S
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| Molecular Weight |
351.349
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| Canonical SMILES |
Cc1ccc2c(Sc3ccc(cc3)C(F)(F)F)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C17H12F3NO2S/c1-9-2-7-12-13(8-9)21-14(16(22)23)15(12)24-11-5-3-10(4-6-11)17(18,19)20/h2-8,21H,1H3,(H,22,23)
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| InChIKey |
OPCIYSSDOTVKTK-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