CPCCOEt   Click here for help

GtoPdb Ligand ID: 1382

Compound class: Synthetic organic
Comment: 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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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 68.12
Molecular weight 247.08
XLogP 1.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)C12CC2C(=NO)c2c(O1)cccc2
Isomeric SMILES CCOC(=O)C12CC2/C(=N\O)/c2c(O1)cccc2
InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-
InChI Key FXCTZFMSAHZQTR-KAMYIIQDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
Database Links Click here for help
BindingDB Ligand 50089903
CAS Registry No. 179067-99-3 (source: Scifinder)
ChEMBL Ligand CHEMBL327783
GtoPdb PubChem SID 135650133
PubChem CID 6278000
Search Google for chemical match using the InChIKey FXCTZFMSAHZQTR-KAMYIIQDSA-N
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Search UniChem for chemical match using the InChIKey FXCTZFMSAHZQTR-KAMYIIQDSA-N
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Wikipedia CPCCOEt

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Tocris
CPCCOEt
Cat. No. 1028