General Information of the Compound
| Compound ID |
CP0412977
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| Compound Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]heptanamide
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| Structure |
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| Formula |
C22H22F7NO2
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| Molecular Weight |
465.409
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| Canonical SMILES |
CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H22F7NO2/c1-2-3-4-5-6-19(31)30-16-10-7-14(8-11-16)17-12-9-15(13-18(17)23)20(32,21(24,25)26)22(27,28)29/h7-13,32H,2-6H2,1H3,(H,30,31)
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| InChIKey |
GZCWOXGIKJYICC-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