General Information of the Compound
| Compound ID |
CP0923261
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| Compound Name |
N-(6-dezoxy-3-methyl-morphine-6beta-yl)isonicotinamide
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| Structure |
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| Formula |
C24H25N3O3
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| Molecular Weight |
403.482
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@H](NC(=O)c4ccncc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341
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| InChI |
InChI=1S/C24H25N3O3/c1-27-12-9-24-16-4-5-17(26-23(28)14-7-10-25-11-8-14)22(24)30-21-19(29-2)6-3-15(20(21)24)13-18(16)27/h3-8,10-11,16-18,22H,9,12-13H2,1-2H3,(H,26,28)/t16-,17-,18+,22-,24-/m0/s1
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| InChIKey |
LEMJHJWEWMEGFV-RZSQPIHOSA-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