General Information of the Compound
| Compound ID |
CP0853245
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| Compound Name |
N-(3-((1-(Isoxazole-5-carbonyl)piperidin-3-yl)oxy)phenyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
O=C(Nc1cccc(OC2CCCN(C(=O)c3ccno3)C2)c1)c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H20F3N3O4/c24-23(25,26)16-5-1-4-15(12-16)21(30)28-17-6-2-7-18(13-17)32-19-8-3-11-29(14-19)22(31)20-9-10-27-33-20/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,28,30)
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| InChIKey |
BYJXSUYUSXPARP-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