General Information of the Compound
| Compound ID |
CP0451210
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| Compound Name |
2-(2-fluoroanilino)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C25H21F5N2O
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| Molecular Weight |
460.446
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| Canonical SMILES |
Fc1ccc(cc1)C1CCCN1C(=O)C(Nc1ccccc1F)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F5N2O/c26-19-13-9-16(10-14-19)22-6-3-15-32(22)24(33)23(31-21-5-2-1-4-20(21)27)17-7-11-18(12-8-17)25(28,29)30/h1-2,4-5,7-14,22-23,31H,3,6,15H2
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| InChIKey |
GAVXBFRZNRYBIJ-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