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Chemical structure of Cyclopenin

GC40569

Cyclopenin

Also known as (3S,3'R)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

Cyclopenin is an inhibitor of acetylcholinesterase (AChE; IC50 = 2·04 μM for human recombinant AChE) that is produced by Penicillium

ChemicalCAS20007-87-8MW294.3FormulaC17H14N2O3
CAS number
20007-87-8
Molecular weight
294.3
Formula
C17H14N2O3
Solubility
Soluble in DMSO
InChIKey
APLKWZASYUZSBL-PBHICJAKSA-N
Catalogue number
GC40569
Brand
GLPBIO
Computed properties PubChem CID 73525 · XLogP 1.5 · TPSA 61.9 Ų · H-bond donors 1
XLogP
1.5
TPSA
61.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22

SMILES CN1C(=O)C2=CC=CC=C2NC(=O)[C@@]13[C@H](O3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 73525), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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