cimaterol   Click here for help

GtoPdb Ligand ID: 12578

Synonyms: AB-A 663 | ABA-663 | cimatrol | CL-263,780
Compound class: Synthetic organic
Comment: Cimaterol is a β-adrenoceptor agonist [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 82.07
Molecular weight 219.28
XLogP -0.29
No. Lipinski's rules broken 0
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Canonical SMILES CC(C)NCC(C1=CC=C(C(=C1)C#N)N)O
Isomeric SMILES CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5773 cimaterol
Synonyms Click here for help
AB-A 663 | ABA-663 | cimatrol | CL-263,780
Database Links Click here for help
Specialist databases
GPCRdb Ligand cimaterol
Other databases
BindingDB Ligand 50432700
ChEMBL Ligand CHEMBL1374751
GtoPdb PubChem SID 479821368
PubChem CID 2755
Search Google for chemical match using the InChIKey BUXRLJCGHZZYNE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey BUXRLJCGHZZYNE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BUXRLJCGHZZYNE-UHFFFAOYSA-N