General Information of the Compound
| Compound ID |
CP0484462
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| Compound Name |
2-[5-fluoro-3-[[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-oxopyridazin-3-yl]methyl]-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H20F7N3O4
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| Molecular Weight |
571.449
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)n2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C26H20F7N3O4/c1-14-19(20-10-17(27)6-8-21(20)35(14)13-23(38)39)11-18-7-9-22(37)36(34-18)12-15-2-4-16(5-3-15)24(40,25(28,29)30)26(31,32)33/h2-10,40H,11-13H2,1H3,(H,38,39)
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| InChIKey |
WUMIHSIFGFZCQQ-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