General Information of the Compound
| Compound ID |
CP0958620
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| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-3-((3,3-difluoropyrrolidin-1-yl)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H27F5N4O2
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| Molecular Weight |
534.529
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)C2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C27H27F5N4O2/c1-16-5-4-6-17(2)22(16)36-14-25(18(3)23(36)37,13-35-8-7-26(28,29)15-35)24(38)34-21-10-19(12-33)9-20(11-21)27(30,31)32/h4-6,9-11,18H,7-8,13-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
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| InChIKey |
BUCHSOPPEQLYRP-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