General Information of the Compound
| Compound ID |
CP0375137
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| Compound Name |
(4aS,9aR)-2,4a-bis(2-phenylethyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-6-ol
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| Structure |
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| Formula |
C27H29NO2
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| Molecular Weight |
399.534
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| Canonical SMILES |
Oc1ccc2O[C@H]3CN(CCc4ccccc4)CC[C@@]3(CCc3ccccc3)c2c1
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| InChI |
InChI=1S/C27H29NO2/c29-23-11-12-25-24(19-23)27(15-13-21-7-3-1-4-8-21)16-18-28(20-26(27)30-25)17-14-22-9-5-2-6-10-22/h1-12,19,26,29H,13-18,20H2/t26-,27-/m0/s1
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| InChIKey |
VLHLEVKJVUXSNX-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