General Information of the Compound
| Compound ID |
CP0958616
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| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((ethyl(2,2,2-trifluoroethyl)amino)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H28F6N4O2
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| Molecular Weight |
554.535
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| Canonical SMILES |
CCN(CC(F)(F)F)C[C@@]1(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C27H28F6N4O2/c1-5-36(15-26(28,29)30)13-25(14-37(23(38)18(25)4)22-16(2)7-6-8-17(22)3)24(39)35-21-10-19(12-34)9-20(11-21)27(31,32)33/h6-11,18H,5,13-15H2,1-4H3,(H,35,39)/t18-,25-/m1/s1
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| InChIKey |
MBGAWMABHUPMMQ-IQGLISFBSA-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