General Information of the Compound
| Compound ID |
CP0958628
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| Compound Name |
1-(2,6-dimethylphenyl)-5-oxo-N-(3-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C25H28F3N3O2
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| Molecular Weight |
459.512
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| Canonical SMILES |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)CC1=O
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| InChI |
InChI=1S/C25H28F3N3O2/c1-16-7-6-8-17(2)23(16)31-15-18(11-22(31)32)24(33)29-20-12-19(25(26,27)28)13-21(14-20)30-9-4-3-5-10-30/h6-8,12-14,18H,3-5,9-11,15H2,1-2H3,(H,29,33)
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| InChIKey |
WEBXSTSBDGLAHU-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