PHCCC   Click here for help

GtoPdb Ligand ID: 1416

Synonyms: (-) PHCCC
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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
CAS Registry No. 179068-02-1 (source: Scifinder)
ChEMBL Ligand CHEMBL164770
GtoPdb PubChem SID 135650816
PubChem CID 5866327
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Wikipedia PHCCC

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PHCCC
Cat. No. 1027