General Information of the Compound
| Compound ID |
CP0485769
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| Compound Name |
4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-2-fluorophenoxy]-3-fluorobenzamide
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| Structure |
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| Formula |
C26H26F2N2O2
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| Molecular Weight |
436.502
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| Canonical SMILES |
Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1
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| InChI |
InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)
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| InChIKey |
PKBVAYHRANDWGW-UHFFFAOYSA-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor