Cdk1/5 inhibitor   Click here for help

GtoPdb Ligand ID: 5947

Synonyms: quinoxaline1
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 2
Rotatable bonds 0
Topological polar surface area 80.48
Molecular weight 185.07
XLogP 1.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1[nH]nc2c1nc1ccccc1n2
Isomeric SMILES Nc1[nH]nc2c1nc1ccccc1n2
InChI InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)
InChI Key DWHVZCLBMTZRQM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2H-pyrazolo[3,4-b]quinoxalin-3-amine
Synonyms Click here for help
quinoxaline1
Database Links Click here for help
CAS Registry No. 40254-90-8
ChEMBL Ligand CHEMBL259389
GtoPdb PubChem SID 178102570
PubChem CID 438981
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Tocris
NSC 693868
Cat. No. 1937