General Information of the Compound
| Compound ID |
CP0516042
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| Compound Name |
6-[4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylpyridine-2-carboxylic acid
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| Structure |
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| Formula |
C20H18N4O3S
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| Molecular Weight |
394.456
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| Canonical SMILES |
COc1cccc2n(-c3cnn(C)c3)c(C)c(Sc3cccc(n3)C(O)=O)c12
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| InChI |
InChI=1S/C20H18N4O3S/c1-12-19(28-17-9-4-6-14(22-17)20(25)26)18-15(7-5-8-16(18)27-3)24(12)13-10-21-23(2)11-13/h4-11H,1-3H3,(H,25,26)
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| InChIKey |
UXGDXORWZBJRCI-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