General Information of the Compound
| Compound ID |
CP0961107
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| Compound Name |
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-N-(3-methyl-5-(trifluoromethyl)phenyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C24H27F3N2O2
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| Molecular Weight |
432.486
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| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C24H27F3N2O2/c1-6-23(22(31)28-19-11-14(2)10-18(12-19)24(25,26)27)13-29(21(30)17(23)5)20-15(3)8-7-9-16(20)4/h7-12,17H,6,13H2,1-5H3,(H,28,31)/t17-,23-/m1/s1
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| InChIKey |
JILYNYYLSQLSQK-UZUQRXQVSA-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