General Information of the Compound
| Compound ID |
CP0926695
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| Compound Name |
N-(6-dezoxy-14alpha-hydroxy-7,8-dihydromorphine-6beta-yl)isonicotinamide
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2ccncc2)CC[C@@]3(O)[C@H]1C5
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| InChI |
InChI=1S/C23H25N3O4/c1-26-11-8-22-18-14-2-3-16(27)19(18)30-20(22)15(4-7-23(22,29)17(26)12-14)25-21(28)13-5-9-24-10-6-13/h2-3,5-6,9-10,15,17,20,27,29H,4,7-8,11-12H2,1H3,(H,25,28)/t15-,17+,20-,22-,23+/m0/s1
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| InChIKey |
RJBNFBRANJUKBQ-URJOCYJQSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor