General Information of the Compound
| Compound ID |
CP0528660
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| Compound Name |
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C25H21ClF4N2O
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| Molecular Weight |
476.901
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| Canonical SMILES |
Fc1cccc(NC(C(=O)N2CCCC2c2ccccc2Cl)c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H21ClF4N2O/c26-21-8-2-1-7-20(21)22-9-4-14-32(22)24(33)23(31-19-6-3-5-18(27)15-19)16-10-12-17(13-11-16)25(28,29)30/h1-3,5-8,10-13,15,22-23,31H,4,9,14H2
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| InChIKey |
ZESXQVRBWGQNPS-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