General Information of the Compound
| Compound ID |
CP0923260
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| Compound Name |
N-(6-dezoxymorphine-6beta-yl)nicotinamide
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)c2cccnc2)C=C[C@H]3[C@H]1C5
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| InChI |
InChI=1S/C23H23N3O3/c1-26-10-8-23-15-5-6-16(25-22(28)14-3-2-9-24-12-14)21(23)29-20-18(27)7-4-13(19(20)23)11-17(15)26/h2-7,9,12,15-17,21,27H,8,10-11H2,1H3,(H,25,28)/t15-,16-,17+,21-,23-/m0/s1
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| InChIKey |
CKZUVSFCIJFOQW-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