General Information of the Compound
| Compound ID |
CP0547750
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| Compound Name |
N-(2-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenyl]butanamide
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N2O/c1-2-17(15-8-7-9-16(14-15)21(22,23)24)20(27)25-18-10-3-4-11-19(18)26-12-5-6-13-26/h3-4,7-11,14,17H,2,5-6,12-13H2,1H3,(H,25,27)
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| InChIKey |
BKYCQAYOTVZRDA-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