General Information of the Compound
| Compound ID |
CP0432350
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| Compound Name |
(4aS,9aR)-4a-(2-phenylethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-6-ol
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| Structure |
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| Formula |
C28H28F3NO2
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| Molecular Weight |
467.531
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| Canonical SMILES |
Oc1ccc2O[C@H]3CN(CCc4ccc(cc4)C(F)(F)F)CC[C@@]3(CCc3ccccc3)c2c1
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| InChI |
InChI=1S/C28H28F3NO2/c29-28(30,31)22-8-6-21(7-9-22)13-16-32-17-15-27(14-12-20-4-2-1-3-5-20)24-18-23(33)10-11-25(24)34-26(27)19-32/h1-11,18,26,33H,12-17,19H2/t26-,27-/m0/s1
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| InChIKey |
MGCRXQZEMWZLPL-SVBPBHIXSA-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