General Information of the Compound
| Compound ID |
CP0961373
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| Compound Name |
N-(3-((1-Nicotinoylpiperidin-4-yl)oxy)phenyl)-3-(trifluoromethyl)-benzamide
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| Structure |
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| Formula |
C25H22F3N3O3
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| Molecular Weight |
469.463
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| Canonical SMILES |
O=C(Nc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C25H22F3N3O3/c26-25(27,28)19-6-1-4-17(14-19)23(32)30-20-7-2-8-22(15-20)34-21-9-12-31(13-10-21)24(33)18-5-3-11-29-16-18/h1-8,11,14-16,21H,9-10,12-13H2,(H,30,32)
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| InChIKey |
WFQTULIGDBCXQR-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