General Information of the Compound
| Compound ID |
CP0944510
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| Compound Name |
N-(3-((1-(Isoxazole-5-carbonyl)piperidin-4-yl)oxy)-4-methylphenyl)-4-methyl-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C25H24F3N3O4
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| Molecular Weight |
487.478
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1
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| InChI |
InChI=1S/C25H24F3N3O4/c1-15-3-5-17(13-20(15)25(26,27)28)23(32)30-18-6-4-16(2)22(14-18)34-19-8-11-31(12-9-19)24(33)21-7-10-29-35-21/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,30,32)
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| InChIKey |
VDGOHCOXNSFGQS-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