General Information of the Compound
| Compound ID |
CP0531122
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| Compound Name |
7-Methyl-3-((2,4,5-trichlorophenyl)thio)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H10Cl3NO2S
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| Molecular Weight |
386.687
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| Canonical SMILES |
Cc1cccc2c(Sc3cc(Cl)c(Cl)cc3Cl)c([nH]c12)C(O)=O
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| InChI |
InChI=1S/C16H10Cl3NO2S/c1-7-3-2-4-8-13(7)20-14(16(21)22)15(8)23-12-6-10(18)9(17)5-11(12)19/h2-6,20H,1H3,(H,21,22)
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| InChIKey |
YVSBDRKPHCAOHQ-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