General Information of the Compound
| Compound ID |
CP0499782
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| Compound Name |
(2S)-2-(2-fluoroanilino)-1-[(2S)-2-(2-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 |
Fc1ccccc1N[C@H](C(=O)N1CCC[C@H]1c1ccccc1F)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F5N2O/c26-19-7-2-1-6-18(19)22-10-5-15-32(22)24(33)23(31-21-9-4-3-8-20(21)27)16-11-13-17(14-12-16)25(28,29)30/h1-4,6-9,11-14,22-23,31H,5,10,15H2/t22-,23-/m0/s1
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| InChIKey |
YAADCCLDXBJNOI-GOTSBHOMSA-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