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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038285

4-acetyl-4-hydroxyheptane-2,6-dione;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

Formula: C31H44N6O8S  |  Mol. Weight: 660.80 g/mol

IUPAC: 4-acetyl-4-hydroxyheptane-2,6-dione;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

Overview

Molecular Formula C31H44N6O8S
Molecular Weight 660.80 g/mol
Canonical SMILES CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.CC(=O)CC(CC(=O)C)(C(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy