General Information of the Compound
| Compound ID |
CP0962774
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| Compound Name |
(3R,4S)-N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((4-fluoropiperidin-1-yl)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H30F4N4O2
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| Molecular Weight |
530.566
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)CC2)(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C28H30F4N4O2/c1-17-5-4-6-18(2)24(17)36-16-27(19(3)25(36)37,15-35-9-7-22(29)8-10-35)26(38)34-23-12-20(14-33)11-21(13-23)28(30,31)32/h4-6,11-13,19,22H,7-10,15-16H2,1-3H3,(H,34,38)/t19-,27-/m1/s1
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| InChIKey |
PEMHXHKPOGWQOL-XHCCPWGMSA-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