Sch 202596

Ligand id: 6128

Name: Sch 202596

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 175.12
Molecular weight 584.05
XLogP 0
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (2S)-5,7-dichloro-5'-methoxy-6-methyl-3,3'-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-methoxycarbonyl-1-cyclohex-2-enyl]oxy]spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
Database Links
CAS Registry No. 196615-89-1 (source: SciFinder)
PubChem CID 11758032
Search Google for chemical match using the InChIKey LNGFWDFUPRZMJI-VEHFIHCQSA-N
Search Google for chemicals with the same backbone LNGFWDFUPRZMJI
Search UniChem for chemical match using the InChIKey LNGFWDFUPRZMJI-VEHFIHCQSA-N
Search UniChem for chemicals with the same backbone LNGFWDFUPRZMJI
Wikipedia SCH-202,596
Comments
Absolute stereochemistry unknown. Represented here as drawn in [1].