General Information of the Compound
| Compound ID |
CP0459486
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| Compound Name |
2-[5-fluoro-2-methyl-3-[[6-oxo-1-(4,4,4-trifluorobutyl)pyridazin-3-yl]methyl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C20H19F4N3O3
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| Molecular Weight |
425.382
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(CCCC(F)(F)F)n2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C20H19F4N3O3/c1-12-15(16-9-13(21)3-5-17(16)26(12)11-19(29)30)10-14-4-6-18(28)27(25-14)8-2-7-20(22,23)24/h3-6,9H,2,7-8,10-11H2,1H3,(H,29,30)
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| InChIKey |
LUUDTRDPNJQXQO-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