Ligand Id: 1382
Ligand name CPCCOEt

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 68.12
Molecular weight 247.08
XLogP 1.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Suppliers
Classification
Compound class Synthetic organic
IUPAC Name
ethyl 7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
Synonyms
7-(hydroxyimino)cyclo-propa[b]chromen-1a-carboxylate ethyl ester
cyclopropan[b]chromen-1a-carboxylate
ethyl (7E)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-ca​rboxylate
Database Links
BindingDB Ligand 50089903
CAS Registry No. 179067-99-3 (source: Scifinder)
ChEMBL Ligand 243343
PubChem CID 6278000
Search Google for chemical match using the InChIKey FXCTZFMSAHZQTR-KAMYIIQDSA-N
Search Google for chemicals with the same backbone FXCTZFMSAHZQTR
Wikipedia CPCCOEt
ZINC ZINC13704065
Comments
Representations of the stereochemistry of CPCCOEt in the literature vary, with the majority of sources specifying a 'flat' structure (as our listed references do), while a few detail (-)CPCCOEt.

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