General Information of the Compound
| Compound ID |
CP0957883
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| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H27F6N3O2
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| Molecular Weight |
539.52
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| Canonical SMILES |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2=CCN(C)CC2)CC1=O
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| InChI |
InChI=1S/C27H27F6N3O2/c1-16-5-4-6-17(2)23(16)36-15-25(14-22(36)37,18-7-9-35(3)10-8-18)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h4-7,11-13H,8-10,14-15H2,1-3H3,(H,34,38)
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| InChIKey |
LAPLFPPCLKKCFU-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