DS-2248
2-[6-amino-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-9-thia-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaen-11-yl]-N-methylacetamide
Molecular Identity
DS-2248
2-[6-amino-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-9-thia-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaen-11-yl]-N-methylacetamide
PubChem CID: 59311617
2D Structure
Properties
C20H23N7O2S
Molecular Formula
425.50
Molecular Weight
g/mol
425.1634
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
146
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
DS-22482-(4-Amino-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,7-dihydro-6-thia-1,2,3,5-tetraazabenz(cd)azulen-8-yl)-N-methylacetamide4-Amino-2,7-dihydro-2-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-N-methyl-6-thia-1,2,3,5-tetraazabenz(cd)azulene-8-acetamide6-Thia-1,2,3,5-tetraazabenz(cd)azulene-8-acetamide, 4-amino-2,7-dihydro-2-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-N-methyl-RefChem:135861Hsp90 Inhibitor DS-2248Heat Shock Protein 90 Inhibitor DS-2248132475-93-53HJ2545H661015051-35-0SCHEMBL31921CHEMBL5095177UNII-3HJ2545H66
Data from PubChem (NCBI)
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Drug Network
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