General Information of the Compound
| Compound ID |
CP0579161
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| Compound Name |
N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
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| Structure |
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| Formula |
C24H20F4N2O2
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| Molecular Weight |
444.428
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| Canonical SMILES |
OCc1cc(ncc1-c1ccc(cc1)C1(CCC1)C(=O)Nc1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F4N2O2/c25-18-6-8-19(9-7-18)30-22(32)23(10-1-11-23)17-4-2-15(3-5-17)20-13-29-21(24(26,27)28)12-16(20)14-31/h2-9,12-13,31H,1,10-11,14H2,(H,30,32)
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| InChIKey |
GXMFNZRLSVZUJB-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