AG879   Click here for help

GtoPdb Ligand ID: 4863

Synonyms: AG 879 | AG-879 | tyrphostin AG879
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 102.13
Molecular weight 316.16
XLogP 4.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=S)N
Isomeric SMILES N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N
InChI InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChI Key XRZYELWZLNAXGE-KPKJPENVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide
Synonyms Click here for help
AG 879 | AG-879 | tyrphostin AG879
Database Links Click here for help
CAS Registry No. 148741-30-4 (source: Scifinder)
ChEMBL Ligand CHEMBL539947
GtoPdb PubChem SID 178101564
PubChem CID 6809654
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