BI6015   

GtoPdb Ligand ID: 6695

Synonyms: BI 6015 | BI-6015
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 106.16
Molecular weight 331.06
XLogP 3.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C
Isomeric SMILES O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C
InChI InChI=1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3
InChI Key ILVCPQPMRPHZSG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole
Synonyms
BI 6015 | BI-6015
Database Links
CAS Registry No. 93987-29-2 (source: SciFinder)
GtoPdb PubChem SID 178103306
PubChem CID 3269393
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Search UniChem for chemical match using the InChIKey ILVCPQPMRPHZSG-UHFFFAOYSA-N
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Tocris
BI 6015
Cat. No. 4641