General Information of the Compound
| Compound ID |
CP0565466
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| Compound Name |
6-[4-chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylpyridine-2-carboxylic acid
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| Structure |
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| Formula |
C19H15ClN4O2S
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| Molecular Weight |
398.875
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| Canonical SMILES |
Cc1c(Sc2cccc(n2)C(O)=O)c2c(Cl)cccc2n1-c1cnn(C)c1
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| InChI |
InChI=1S/C19H15ClN4O2S/c1-11-18(27-16-8-4-6-14(22-16)19(25)26)17-13(20)5-3-7-15(17)24(11)12-9-21-23(2)10-12/h3-10H,1-2H3,(H,25,26)
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| InChIKey |
AZRHMXSVSIPUBJ-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