General Information of the Compound
| Compound ID |
CP0915454
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| Compound Name |
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-N-(3-(morpholinomethyl)-5-(trifluoromethyl)phenyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H34F3N3O3
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| Molecular Weight |
517.592
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| Canonical SMILES |
CC[C@@]1(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C28H34F3N3O3/c1-5-27(17-34(25(35)20(27)4)24-18(2)7-6-8-19(24)3)26(36)32-23-14-21(13-22(15-23)28(29,30)31)16-33-9-11-37-12-10-33/h6-8,13-15,20H,5,9-12,16-17H2,1-4H3,(H,32,36)/t20-,27-/m1/s1
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| InChIKey |
QXWZQEWRLKTUQJ-NFQMXDRXSA-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