General Information of the Compound
| Compound ID |
CP0944509
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| Compound Name |
N-(3-((1-Acryloylpiperidin-4-yl)oxy)-4-methylphenyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H23F3N2O3
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| Molecular Weight |
432.442
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| Canonical SMILES |
C=CC(=O)N1CCC(Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1
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| InChI |
InChI=1S/C23H23F3N2O3/c1-3-21(29)28-11-9-19(10-12-28)31-20-14-18(8-7-15(20)2)27-22(30)16-5-4-6-17(13-16)23(24,25)26/h3-8,13-14,19H,1,9-12H2,2H3,(H,27,30)
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| InChIKey |
DBUQNLFQKPBSES-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