General Information of the Compound
| Compound ID |
CP0160896
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| Compound Name |
6-(6-chloro-1,2-dimethylindol-3-yl)sulfanylpyridine-2-carboxylic acid
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| Structure |
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| Formula |
C16H13ClN2O2S
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| Molecular Weight |
332.812
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| Canonical SMILES |
Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)cc2n1C
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| InChI |
InChI=1S/C16H13ClN2O2S/c1-9-15(11-7-6-10(17)8-13(11)19(9)2)22-14-5-3-4-12(18-14)16(20)21/h3-8H,1-2H3,(H,20,21)
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| InChIKey |
MMBGEEFHVUPPGL-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