General Information of the Compound
| Compound ID |
CP0943493
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| Compound Name |
(3R,4S)-3-(azetidin-1-ylmethyl)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H27F3N4O2
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| Molecular Weight |
484.522
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C26H27F3N4O2/c1-16-6-4-7-17(2)22(16)33-15-25(18(3)23(33)34,14-32-8-5-9-32)24(35)31-21-11-19(13-30)10-20(12-21)26(27,28)29/h4,6-7,10-12,18H,5,8-9,14-15H2,1-3H3,(H,31,35)/t18-,25-/m1/s1
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| InChIKey |
QLYQAUBTRLBIOY-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