General Information of the Compound
| Compound ID |
CP0441120
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| Compound Name |
6-(1-cyclopentyl-2-methylindol-3-yl)sulfanylpyridine-2-carboxylic acid
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| Structure |
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
Cc1c(Sc2cccc(n2)C(O)=O)c2ccccc2n1C1CCCC1
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| InChI |
InChI=1S/C20H20N2O2S/c1-13-19(25-18-12-6-10-16(21-18)20(23)24)15-9-4-5-11-17(15)22(13)14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8H2,1H3,(H,23,24)
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| InChIKey |
CLTKFNRMIBVHOJ-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