General Information of the Compound
| Compound ID |
CP0390778
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| Compound Name |
2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methyl-propylamino]acetonitrile
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| Structure |
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| Formula |
C25H20F7N3
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| Molecular Weight |
495.442
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| Canonical SMILES |
CCCN(Cc1cnccc1-c1ccccc1F)C(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H20F7N3/c1-2-9-35(15-17-14-34-8-7-20(17)21-5-3-4-6-22(21)26)23(13-33)16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h3-8,10-12,14,23H,2,9,15H2,1H3
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| InChIKey |
CFFCQINDFYKHJG-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