General Information of the Compound
| Compound ID |
CP0558337
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| Compound Name |
6-[(2,4-dimethyl-1H-indol-3-yl)sulfanyl]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C16H14N2O2S
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| Molecular Weight |
298.367
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| Canonical SMILES |
Cc1[nH]c2cccc(C)c2c1Sc1cccc(n1)C(O)=O
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| InChI |
InChI=1S/C16H14N2O2S/c1-9-5-3-6-11-14(9)15(10(2)17-11)21-13-8-4-7-12(18-13)16(19)20/h3-8,17H,1-2H3,(H,19,20)
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| InChIKey |
QAHSMPWCAIKAKO-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