General Information of the Compound
| Compound ID |
CP0930861
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| Compound Name |
(3S,4S)-1-(2,6-dimethylphenyl)-N-(3-ethoxy-5-(trifluoromethyl)phenyl)-3-ethyl-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C25H29F3N2O3
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| Molecular Weight |
462.512
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| Canonical SMILES |
CCOc1cc(NC(=O)[C@]2(CC)CN(c3c(C)cccc3C)C(=O)[C@H]2C)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C25H29F3N2O3/c1-6-24(14-30(22(31)17(24)5)21-15(3)9-8-10-16(21)4)23(32)29-19-11-18(25(26,27)28)12-20(13-19)33-7-2/h8-13,17H,6-7,14H2,1-5H3,(H,29,32)/t17-,24-/m1/s1
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| InChIKey |
PHKSLOITNAOQHL-MZNJEOGPSA-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