General Information of the Compound
| Compound ID |
CP0570068
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| Compound Name |
methyl 4-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-4-oxobutanoate
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| Structure |
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| Formula |
C20H16F7NO4
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| Molecular Weight |
467.337
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| Canonical SMILES |
COC(=O)CCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H16F7NO4/c1-32-17(30)9-8-16(29)28-13-5-2-11(3-6-13)14-7-4-12(10-15(14)21)18(31,19(22,23)24)20(25,26)27/h2-7,10,31H,8-9H2,1H3,(H,28,29)
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| InChIKey |
QRNIAQAINCIHGV-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