General Information of the Compound
| Compound ID |
CP0169877
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| Compound Name |
3-[(6-chloro-2-methyl-1H-indol-3-yl)sulfanyl]benzoic acid
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| Structure |
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| Formula |
C16H12ClNO2S
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| Molecular Weight |
317.797
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| Canonical SMILES |
Cc1[nH]c2cc(Cl)ccc2c1Sc1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C16H12ClNO2S/c1-9-15(13-6-5-11(17)8-14(13)18-9)21-12-4-2-3-10(7-12)16(19)20/h2-8,18H,1H3,(H,19,20)
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| InChIKey |
XDBFDUYTMRIIGM-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