General Information of the Compound
| Compound ID |
CP0411582
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]propan-1-amine
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| Structure |
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| Formula |
C23H19F7N2
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| Molecular Weight |
456.405
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| Canonical SMILES |
CCC(NCc1cnccc1-c1ccccc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H19F7N2/c1-2-21(14-9-16(22(25,26)27)11-17(10-14)23(28,29)30)32-13-15-12-31-8-7-18(15)19-5-3-4-6-20(19)24/h3-12,21,32H,2,13H2,1H3
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| InChIKey |
AOOGKLLTJDFQKG-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