(-)-cyclazocine   Click here for help

GtoPdb Ligand ID: 1604

Compound class: Synthetic organic
Comment: The INN-assigned compound cyclazocine is a mixture of two epimers and their enantiomers. The reference from which our biological activity data is curated does not specify the exact structure used in their study therefore we have chosen to display the structure corresponding to the PubChem entry for (-)-cyclazocine with the highest number of same structure SID mappings.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 271.19
XLogP 3.23
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc2c(c1)C1(C)CCN(C(C2)C1C)CC1CC1
Isomeric SMILES Oc1ccc2c(c1)[C@]1(C)CCN([C@@H](C2)C1C)CC1CC1
InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18+/m0/s1
1. Toll L, Berzetei-Gurske IP, Polgar WE, Brandt SR, Adapa ID, Rodriguez L, Schwartz RW, Haggart D, O'Brien A, White A et al.. (1998)
Standard binding and functional assays related to medications development division testing for potential cocaine and opiate narcotic treatment medications.
NIDA Res Monogr, 178: 440-66. [PMID:9686407]