General Information of the Compound
| Compound ID |
CP0389169
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-phenylpyridin-3-yl)methyl]methanamine
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| Structure |
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| Formula |
C21H16F6N2
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| Molecular Weight |
410.361
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| Canonical SMILES |
FC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F6N2/c22-20(23,24)17-8-14(9-18(10-17)21(25,26)27)11-29-13-16-12-28-7-6-19(16)15-4-2-1-3-5-15/h1-10,12,29H,11,13H2
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| InChIKey |
RDZWUOGMLNAQDK-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