General Information of the Compound
| Compound ID |
CP0169883
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| Compound Name |
3-(2-methyl-1-phenylindol-3-yl)sulfanylbenzoic acid
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| Structure |
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| Formula |
C22H17NO2S
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| Molecular Weight |
359.45
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| Canonical SMILES |
Cc1c(Sc2cccc(c2)C(O)=O)c2ccccc2n1-c1ccccc1
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| InChI |
InChI=1S/C22H17NO2S/c1-15-21(26-18-11-7-8-16(14-18)22(24)25)19-12-5-6-13-20(19)23(15)17-9-3-2-4-10-17/h2-14H,1H3,(H,24,25)
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| InChIKey |
HKVXFVNQSZBSCM-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