General Information of the Compound
| Compound ID |
CP0541078
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| Compound Name |
3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)-5,5-dimethylcyclohex-2-enone
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| Structure |
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| Formula |
C28H29F6NO2
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| Molecular Weight |
525.533
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC(C)(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H29F6NO2/c1-17(19-9-20(27(29,30)31)11-21(10-19)28(32,33)34)37-25-16-35(15-24(25)18-7-5-4-6-8-18)22-12-23(36)14-26(2,3)13-22/h4-12,17,24-25H,13-16H2,1-3H3/t17-,24+,25-/m1/s1
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| InChIKey |
GCQVWMNNZJCRKP-HCOMASKESA-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