General Information of the Compound
| Compound ID |
CP0447493
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| Compound Name |
4-[6-chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanylbutanoic acid
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| Structure |
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| Formula |
C17H18ClN3O2S
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| Molecular Weight |
363.87
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| Canonical SMILES |
Cc1c(SCCCC(O)=O)c2ccc(Cl)cc2n1-c1cnn(C)c1
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| InChI |
InChI=1S/C17H18ClN3O2S/c1-11-17(24-7-3-4-16(22)23)14-6-5-12(18)8-15(14)21(11)13-9-19-20(2)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)
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| InChIKey |
JLTDSKIOWGFSOS-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