IBC 293   

GtoPdb Ligand ID: 1597

Synonyms: IBC-293 | IBC293
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 68.01
Molecular weight 205.09
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1ccc2c(c1)nnn2C(C)C
Isomeric SMILES OC(=O)c1ccc2c(c1)nnn2C(C)C
InChI InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
InChI Key RUTVRAJKELSHCC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-propan-2-ylbenzotriazole-5-carboxylic acid
Synonyms
IBC-293 | IBC293
Database Links
BindingDB Ligand 50241028
CAS Registry No. 306935-41-1 (source: Scifinder)
ChEMBL Ligand CHEMBL381638
GtoPdb PubChem SID 135649667
PubChem CID 2736690
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Search UniChem for chemical match using the InChIKey RUTVRAJKELSHCC-UHFFFAOYSA-N
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Tocris
IBC 293
Cat. No. 2469