General Information of the Compound
| Compound ID |
CP0385824
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| Compound Name |
2-(2-fluoroanilino)-1-[(2S)-2-phenylpyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C25H22F4N2O
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| Molecular Weight |
442.456
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| Canonical SMILES |
Fc1ccccc1NC(C(=O)N1CCC[C@H]1c1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F4N2O/c26-20-9-4-5-10-21(20)30-23(18-12-14-19(15-13-18)25(27,28)29)24(32)31-16-6-11-22(31)17-7-2-1-3-8-17/h1-5,7-10,12-15,22-23,30H,6,11,16H2/t22-,23?/m0/s1
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| InChIKey |
HDFIXHABRALQGY-NQCNTLBGSA-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