General Information of the Compound
| Compound ID |
CP0488527
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| Compound Name |
2-[5-fluoro-2-methyl-3-[6-(4,4,4-trifluorobutoxy)pyridin-3-yl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C20H18F4N2O3
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| Molecular Weight |
410.367
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| Canonical SMILES |
Cc1c(-c2ccc(OCCCC(F)(F)F)nc2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C20H18F4N2O3/c1-12-19(15-9-14(21)4-5-16(15)26(12)11-18(27)28)13-3-6-17(25-10-13)29-8-2-7-20(22,23)24/h3-6,9-10H,2,7-8,11H2,1H3,(H,27,28)
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| InChIKey |
NYAKGTZHXXIUBN-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