MNK1 inhibitor   Click here for help

GtoPdb Ligand ID: 6010

Synonyms: CGP 57380 | CGP-57380
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 92.51
Molecular weight 244.09
XLogP 2.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2
Isomeric SMILES Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2
InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
InChI Key UQPMANVRZYYQMD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
Synonyms Click here for help
CGP 57380 | CGP-57380
Database Links Click here for help
CAS Registry No. 522629-08-9
ChEMBL Ligand CHEMBL1240885
GtoPdb PubChem SID 178102632
PubChem CID 11644425
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Tocris
CGP 57380
Cat. No. 2731