General Information of the Compound
| Compound ID |
CP0433528
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| Compound Name |
2-(2,5-dimethyl-3-(8-(methylsulfonyl)quinolin-4-yl)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C22H20N2O4S
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| Molecular Weight |
408.479
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| Canonical SMILES |
Cc1c(-c2ccnc3c(cccc23)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C22H20N2O4S/c1-13-7-8-18-17(11-13)21(14(2)24(18)12-20(25)26)15-9-10-23-22-16(15)5-4-6-19(22)29(3,27)28/h4-11H,12H2,1-3H3,(H,25,26)
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| InChIKey |
CUBGOGRTKCMGGK-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