phenanthridine

Synonyms: "6-phenanthridine", "benzo[c]quinoline", "3,4-benzoquinoline", "9-aAzaphenanthrene", "3,4-benzoisoquinoline", "5-azaphenanthrene", "benzo(c)quinoline".

Source: Phenanthridine is an important fused heteroaromatic skeleton that occurs frequently in natural products, pharmaceutical drugs, and other functional molecules.

Identifiers:

IUPAC Name: phenanthridine
CAS Number: 229-87-8
PubChem ID: 9189
InChiKey: RDOWQLZANAYVLL-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=NC3=CC=CC=C23

Structural Properties:

Molecular Formula: C₁₃H₉N
Molecular Weight: 179.222

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Benisek M, Kubincova P, Blaha L, Hilscherova K. 2011. The effects of PAHs and N-PAHs on retinoid signaling and Oct-4 expression in vitro. Toxicol Lett 200(3):169-175. DOI: 10.1016/j.toxlet.2010.11.011. URL: http://www.sciencedirect.com/science/article/pii/S0378427410017716?via%3Dihub.