General Information of the Compound
| Compound ID |
CP0958637
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| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2-(hydroxymethyl)phenyl)-3-isopropyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C23H22F6N2O3
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| Molecular Weight |
488.428
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| Canonical SMILES |
CC(C)C1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)N(c2ccccc2CO)C1
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| InChI |
InChI=1S/C23H22F6N2O3/c1-13(2)21(10-19(33)31(12-21)18-6-4-3-5-14(18)11-32)20(34)30-17-8-15(22(24,25)26)7-16(9-17)23(27,28)29/h3-9,13,32H,10-12H2,1-2H3,(H,30,34)
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| InChIKey |
SEKYTGGOFNYHIA-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