General Information of the Compound
| Compound ID |
CP0233344
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| Compound Name |
(-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Mandelate
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| Synonyms |
3-Hydroxy-N-cyclobutylmethylmorphinan
3-hydroxy-n-cyclobutylmethyl morphinan
BDBM50135808
BUTORPHAN
CHEMBL301160
MCL-101
SCHEMBL11805323
ZINC3982790
butorphan
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| Structure |
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| Formula |
C21H29NO
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| Molecular Weight |
311.469
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| Canonical SMILES |
Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
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| InChI |
InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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| InChIKey |
YSTAPDGDOHWKQR-CEWLAPEOSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Clinical Information about the Compound