PHCCC   Click here for help

GtoPdb Ligand ID: 1416

Synonyms: (-) PHCCC
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.92
Molecular weight 294.1
XLogP 2.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1
Isomeric SMILES O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1
InChI InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-
InChI Key FPXPIEZPAXSELW-CYVLTUHYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
Synonyms Click here for help
(-) PHCCC
Database Links Click here for help
Specialist databases
GPCRdb Ligand PHCCC
Other databases
CAS Registry No. 179068-02-1 (source: Scifinder)
ChEMBL Ligand CHEMBL164770
GtoPdb PubChem SID 135650816
PubChem CID 5866327
Search Google for chemical match using the InChIKey FPXPIEZPAXSELW-CYVLTUHYSA-N
Search Google for chemicals with the same backbone FPXPIEZPAXSELW
UniChem Compound Search for chemical match using the InChIKey FPXPIEZPAXSELW-CYVLTUHYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FPXPIEZPAXSELW-CYVLTUHYSA-N
Wikipedia PHCCC

Product suppliers

View disclaimer

Tocris
PHCCC (links to external site)
Cat. No. 1027