clenbuterol   Click here for help

GtoPdb Ligand ID: 12582

Synonyms: NAB 365 | NAB-365 | Planipart® | Spiropent®
Compound class: Synthetic organic
Comment: Clenbuterol is a β2-adrenoceptor agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 58.28
Molecular weight 277.19
XLogP 1.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
Isomeric SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
InChI Key STJMRWALKKWQGH-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel