General Information of the Compound
| Compound ID |
CP0570069
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| Compound Name |
methyl 5-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]-5-oxopentanoate
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| Structure |
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| Formula |
C21H18F7NO4
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| Molecular Weight |
481.364
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| Canonical SMILES |
COC(=O)CCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H18F7NO4/c1-33-18(31)4-2-3-17(30)29-14-8-5-12(6-9-14)15-10-7-13(11-16(15)22)19(32,20(23,24)25)21(26,27)28/h5-11,32H,2-4H2,1H3,(H,29,30)
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| InChIKey |
VSPWMLMXHQKBHN-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