CGP7930   Click here for help

GtoPdb Ligand ID: 1079

Synonyms: CGP 7930 | CGP-7930
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 40.46
Molecular weight 292.24
XLogP 5.22
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OCC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C
Isomeric SMILES OCC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C
InChI InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
InChI Key XLWJPQQFJNGUPA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Synonyms Click here for help
CGP 7930 | CGP-7930
Database Links Click here for help
CAS Registry No. 57717-80-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1256697
GtoPdb PubChem SID 135650080
PubChem CID 5024764
Search Google for chemical match using the InChIKey XLWJPQQFJNGUPA-UHFFFAOYSA-N
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Wikipedia CGP-7930

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Tocris
CGP 7930
Cat. No. 1513