General Information of the Compound
| Compound ID |
CP0858864
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| Compound Name |
7,8-dihydro-3-desoxyheterocodeine
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| Structure |
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| Formula |
C18H23NO2
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| Molecular Weight |
285.387
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| Canonical SMILES |
CO[C@H]1CC[C@H]2[C@H]3Cc4cccc5c4[C@@]2(CCN3C)[C@H]1O5
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| InChI |
InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3/t12-,13+,15-,17-,18-/m0/s1
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| InChIKey |
TVKLAUXNUZFODG-VLMXICCQSA-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