General Information of the Compound
| Compound ID |
CP0196587
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| Compound Name |
6-[2,6-dimethyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylpyridine-2-carboxylic acid
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| Structure |
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| Formula |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(C)cc2n1-c1cnn(C)c1
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| InChI |
InChI=1S/C20H18N4O2S/c1-12-7-8-15-17(9-12)24(14-10-21-23(3)11-14)13(2)19(15)27-18-6-4-5-16(22-18)20(25)26/h4-11H,1-3H3,(H,25,26)
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| InChIKey |
MBAOKDCORYOFPP-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