AG 9   Click here for help

GtoPdb Ligand ID: 5917

Synonyms: AG-9 | AG9 | tyrphostin 1 | tyrphostin A1
Compound class: Synthetic organic
Comment: This is compound 1 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 56.81
Molecular weight 184.06
XLogP 1.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)C=C(C#N)C#N
Isomeric SMILES COc1ccc(cc1)C=C(C#N)C#N
InChI InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3
InChI Key UOHFCPXBKJPCAD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(4-methoxyphenyl)methylidene]propanedinitrile
Synonyms Click here for help
AG-9 | AG9 | tyrphostin 1 | tyrphostin A1
Database Links Click here for help
CAS Registry No. 2826-26-8
ChEMBL Ligand CHEMBL77456
GtoPdb PubChem SID 178102540
PubChem CID 2063
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