General Information of the Compound
| Compound ID |
CP0468323
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| Compound Name |
14beta-Acetoyloxy-17-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6beta-(cinnamoylamino)morphinan
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| Structure |
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| Formula |
C31H34N2O5
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| Molecular Weight |
514.622
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| Canonical SMILES |
CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
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| InChI |
InChI=1S/C31H34N2O5/c1-19(34)38-31-14-13-23(32-26(36)12-9-20-5-3-2-4-6-20)29-30(31)15-16-33(18-21-7-8-21)25(31)17-22-10-11-24(35)28(37-29)27(22)30/h2-6,9-12,21,23,25,29,35H,7-8,13-18H2,1H3,(H,32,36)/b12-9+/t23-,25-,29+,30+,31-/m1/s1
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| InChIKey |
OSVAKAHPJDCGIG-KAPPCOJISA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor