(-)-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
SMILES / InChI / InChIKey
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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
InChI Key YQYVFVRQLZMJKJ-OTLVQASYSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
1664 cyclazocine
Database Links Click here for help
BindingDB Ligand 50018731
CAS Registry No. 7313-86-2
GtoPdb PubChem SID 135650145
PubChem CID 21779964
Search Google for chemical match using the InChIKey YQYVFVRQLZMJKJ-OTLVQASYSA-N
Search Google for chemicals with the same backbone YQYVFVRQLZMJKJ
Search PubMed clinical trials cyclazocine
Search PubMed titles cyclazocine
Search PubMed titles/abstracts cyclazocine
Search UniChem for chemical match using the InChIKey YQYVFVRQLZMJKJ-OTLVQASYSA-N
Search UniChem for chemicals with the same backbone YQYVFVRQLZMJKJ
Wikipedia Cyclazocine