General Information of the Compound
| Compound ID |
CP0487814
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenylpyridin-3-yl)methyl]acetamide
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| Structure |
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| Formula |
C23H18F6N2O
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| Molecular Weight |
452.398
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| Canonical SMILES |
CC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cnccc1-c1ccccc1
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| InChI |
InChI=1S/C23H18F6N2O/c1-15(32)31(14-18-12-30-8-7-21(18)17-5-3-2-4-6-17)13-16-9-19(22(24,25)26)11-20(10-16)23(27,28)29/h2-12H,13-14H2,1H3
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| InChIKey |
SPYCIEBBCKHHIR-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