General Information of the Compound
| Compound ID |
CP0943504
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| Compound Name |
(3S,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-isopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C25H26F6N2O2
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| Molecular Weight |
500.483
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)[C@H](C)C1=O
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| InChI |
InChI=1S/C25H26F6N2O2/c1-13(2)23(12-33(21(34)16(23)5)20-14(3)7-6-8-15(20)4)22(35)32-19-10-17(24(26,27)28)9-18(11-19)25(29,30)31/h6-11,13,16H,12H2,1-5H3,(H,32,35)/t16-,23+/m1/s1
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| InChIKey |
MCGYLBXVWYMXIB-MWTRTKDXSA-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