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 329594, 476726, 243343, 329490
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, ZINC13719863
Comments
Representations of the stereochemistry of CPCCOEt in the literature varies, with the majority of sources specifying a 'flat' structure, while a few detail (-)CPCCOEt.

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