General Information of the Compound
| Compound ID |
CP0862456
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| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((ethyl(isopropyl)amino)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H33F3N4O2
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| Molecular Weight |
514.592
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| Canonical SMILES |
CCN(C[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C)C(C)C
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| InChI |
InChI=1S/C28H33F3N4O2/c1-7-34(17(2)3)15-27(16-35(25(36)20(27)6)24-18(4)9-8-10-19(24)5)26(37)33-23-12-21(14-32)11-22(13-23)28(29,30)31/h8-13,17,20H,7,15-16H2,1-6H3,(H,33,37)/t20-,27-/m1/s1
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| InChIKey |
LZEZNAMIIDAZQF-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