General Information of the Compound
| Compound ID |
CP0962776
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| Compound Name |
(3R,4S)-N-(3,5-bis(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 |
C28H30F7N3O2
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| Molecular Weight |
573.553
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)CC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C28H30F7N3O2/c1-16-5-4-6-17(2)23(16)38-15-26(18(3)24(38)39,14-37-9-7-21(29)8-10-37)25(40)36-22-12-19(27(30,31)32)11-20(13-22)28(33,34)35/h4-6,11-13,18,21H,7-10,14-15H2,1-3H3,(H,36,40)/t18-,26-/m1/s1
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| InChIKey |
VIWUEOBPBKDILU-WXTAPIANSA-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