General Information of the Compound
| Compound ID |
CP0849955
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| Compound Name |
N-(6-dezoxy-7,8-dihydromorphine-6beta-yl)isonicotinamide
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2ccncc2)CC[C@H]3[C@H]1C5
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| InChI |
InChI=1S/C23H25N3O3/c1-26-11-8-23-15-3-4-16(25-22(28)13-6-9-24-10-7-13)21(23)29-20-18(27)5-2-14(19(20)23)12-17(15)26/h2,5-7,9-10,15-17,21,27H,3-4,8,11-12H2,1H3,(H,25,28)/t15-,16-,17+,21-,23-/m0/s1
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| InChIKey |
AYDJUACVCVNXRY-NXASZBTQSA-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