General Information of the Compound
| Compound ID |
CP0570218
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| Compound Name |
3-[(2-methyl-1H-indol-3-yl)sulfanyl]benzoic acid
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| Structure |
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| Formula |
C16H13NO2S
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| Molecular Weight |
283.352
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1Sc1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C16H13NO2S/c1-10-15(13-7-2-3-8-14(13)17-10)20-12-6-4-5-11(9-12)16(18)19/h2-9,17H,1H3,(H,18,19)
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| InChIKey |
ZPRMXJWIVLCGOB-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