LY2033298   Click here for help

GtoPdb Ligand ID: 3262

Synonyms: LY 2033298 | LY-2033298
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 4
Topological polar surface area 105.48
Molecular weight 311.05
XLogP 2.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1
Isomeric SMILES COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1
InChI InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
InChI Key CTEGQKDJTBWFHW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[4,5-e]pyridine-2-carboxamide
Synonyms Click here for help
LY 2033298 | LY-2033298
Database Links Click here for help
CAS Registry No. 886047-13-8 (source: Scifinder)
GtoPdb PubChem SID 178100305
PubChem CID 11536903
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Tocris
LY 2033298
Cat. No. 7027