General Information of the Compound
| Compound ID |
CP0967699
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| Compound Name |
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C24H27F3N2O3
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| Molecular Weight |
448.485
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| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C24H27F3N2O3/c1-6-23(13-29(21(30)16(23)4)20-14(2)8-7-9-15(20)3)22(31)28-18-10-17(24(25,26)27)11-19(12-18)32-5/h7-12,16H,6,13H2,1-5H3,(H,28,31)/t16-,23-/m1/s1
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| InChIKey |
JHSNMJINMARKTQ-WAIKUNEKSA-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