General Information of the Compound
| Compound ID |
CP0943506
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| Compound Name |
(3S,4R)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C24H24F6N2O2
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| Molecular Weight |
486.456
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| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@@H]1C
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| InChI |
InChI=1S/C24H24F6N2O2/c1-5-22(12-32(20(33)15(22)4)19-13(2)7-6-8-14(19)3)21(34)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h6-11,15H,5,12H2,1-4H3,(H,31,34)/t15-,22+/m0/s1
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| InChIKey |
XFVZPZVZOZNVOW-OYHNWAKOSA-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