General Information of the Compound
| Compound ID |
CP0451209
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| Compound Name |
2-(2-fluoroanilino)-1-(2-pyridin-4-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C24H21F4N3O
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| Molecular Weight |
443.444
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCCC1c1ccncc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F4N3O/c25-19-4-1-2-5-20(19)30-22(17-7-9-18(10-8-17)24(26,27)28)23(32)31-15-3-6-21(31)16-11-13-29-14-12-16/h1-2,4-5,7-14,21-22,30H,3,6,15H2
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| InChIKey |
RCJJCOWBDGKVAY-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