General Information of the Compound
| Compound ID |
CP0954988
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| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H24F6N4O2
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| Molecular Weight |
538.492
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| Canonical SMILES |
Cc1cc(C)n(C2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(=O)N(c3c(C)cccc3C)C2)n1
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| InChI |
InChI=1S/C26H24F6N4O2/c1-14-6-5-7-15(2)22(14)35-13-24(12-21(35)37,36-17(4)8-16(3)34-36)23(38)33-20-10-18(25(27,28)29)9-19(11-20)26(30,31)32/h5-11H,12-13H2,1-4H3,(H,33,38)
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| InChIKey |
OXMWHHFITKTAMW-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