WAY-181187   Click here for help

GtoPdb Ligand ID: 3240

Synonyms: WAY 181187 | WAY-181,187
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 119.01
Molecular weight 380.02
XLogP 2.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2
Isomeric SMILES NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2
InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
InChI Key RYBOXBBYCVOYNO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(1-{6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl}-1H-indol-3-yl)ethan-1-amine
Synonyms Click here for help
WAY 181187 | WAY-181,187
Database Links Click here for help
CAS Registry No. 554403-49-5 (source: Scifinder)
ChEMBL Ligand CHEMBL392760
GtoPdb PubChem SID 178100291
PubChem CID 10150497
Search Google for chemical match using the InChIKey RYBOXBBYCVOYNO-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey RYBOXBBYCVOYNO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RYBOXBBYCVOYNO-UHFFFAOYSA-N
Wikipedia WAY-181,187