General Information of the Compound
| Compound ID |
CP0436386
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| Compound Name |
3-[6-chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylbenzoic acid
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| Structure |
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| Formula |
C20H16ClN3O2S
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| Molecular Weight |
397.887
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| Canonical SMILES |
Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1
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| InChI |
InChI=1S/C20H16ClN3O2S/c1-12-19(27-16-5-3-4-13(8-16)20(25)26)17-7-6-14(21)9-18(17)24(12)15-10-22-23(2)11-15/h3-11H,1-2H3,(H,25,26)
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| InChIKey |
ZMNHSXPYMSEYRI-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