General Information of the Compound
| Compound ID |
CP0433527
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| Compound Name |
2-(2,5-dimethyl-3-(8-(trifluoromethyl)quinolin-4-yl)-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C22H17F3N2O2
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| Molecular Weight |
398.384
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| Canonical SMILES |
Cc1c(-c2ccnc3c(cccc23)C(F)(F)F)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C22H17F3N2O2/c1-12-6-7-18-16(10-12)20(13(2)27(18)11-19(28)29)14-8-9-26-21-15(14)4-3-5-17(21)22(23,24)25/h3-10H,11H2,1-2H3,(H,28,29)
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| InChIKey |
HYJFNTQMONCVNH-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