General Information of the Compound
| Compound ID |
CP0957893
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-(((2,2-difluoroethyl)(methyl)amino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H27F8N3O2
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| Molecular Weight |
565.505
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)CC(F)F)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C26H27F8N3O2/c1-14-6-5-7-15(2)21(14)37-13-24(16(3)22(37)38,12-36(4)11-20(27)28)23(39)35-19-9-17(25(29,30)31)8-18(10-19)26(32,33)34/h5-10,16,20H,11-13H2,1-4H3,(H,35,39)/t16-,24-/m1/s1
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| InChIKey |
XJLFJWALSLVTQF-VOIUYBSRSA-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