General Information of the Compound
| Compound ID |
CP0525279
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]methanamine
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| Structure |
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| Formula |
C21H15F7N2
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| Molecular Weight |
428.351
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F7N2/c22-19-4-2-1-3-18(19)17-5-6-29-11-14(17)12-30-10-13-7-15(20(23,24)25)9-16(8-13)21(26,27)28/h1-9,11,30H,10,12H2
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| InChIKey |
UQRIVISJYLRMDU-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