tiotidine   Click here for help

GtoPdb Ligand ID: 1235

Synonyms: ICI 125,211 | ICI-125211
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 191.04
Molecular weight 312.09
XLogP 0.01
No. Lipinski's rules broken 0
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Canonical SMILES N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N
Isomeric SMILES N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N
InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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
4895 tiotidine
Synonyms Click here for help
ICI 125,211 | ICI-125211
Database Links Click here for help
Specialist databases
GPCRdb Ligand tiotidine
Other databases
BindingDB Ligand 22568
CAS Registry No. 69014-14-8 (source: Scifinder)
ChEMBL Ligand CHEMBL269646
GtoPdb PubChem SID 135651265
PubChem CID 50287
Search Google for chemical match using the InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N

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Tiotidine (links to external site)
Cat. No. 0826