metiamide   Click here for help

GtoPdb Ligand ID: 1233

Synonyms: NSC 307755 | SK&F 92058
Compound class: Synthetic organic
Comment: Metiamide was an intermediate compound in the development process which identified the successful anti-ulcer drug cimetidine.
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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 7
Topological polar surface area 110.13
Molecular weight 244.08
XLogP 1.11
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=S)NCCSCc1nc[nH]c1C
Isomeric SMILES CNC(=S)NCCSCc1nc[nH]c1C
InChI InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
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
3455 metiamide
Synonyms Click here for help
NSC 307755 | SK&F 92058
Database Links Click here for help
Specialist databases
GPCRdb Ligand metiamide
Other databases
BindingDB Ligand 81468
CAS Registry No. 34839-70-8
ChEMBL Ligand CHEMBL275446
DrugBank Ligand DB08805
GtoPdb PubChem SID 135650597
PubChem CID 1548992
Search Google for chemical match using the InChIKey FPBPLBWLMYGIQR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FPBPLBWLMYGIQR-UHFFFAOYSA-N
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Wikipedia Metiamide