General Information of the Compound
| Compound ID |
CP0082341
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| Compound Name |
2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C22H20N2O2
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| Molecular Weight |
344.414
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| Canonical SMILES |
Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26)
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| InChIKey |
PYCNZTVHCBCNPY-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