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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL415879
CHEMBL415879
Compound Name PHENANTHROLINE
ChEMBL Synonyms 1,10-Phenanthroline Monohydrate | 1,10-Phenanthroline
Max Phase 0
Trade Names
Molecular Formula C12H8N2

Additional synonyms for CHEMBL415879 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cnc2c(c1)ccc3cccnc23
Standard InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1 ...
Download InChI
Standard InChI Key DGEZNRSVGBDHLK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL415879

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 180.0687 2.2 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.16 2.25 2.24 3 14 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL415879. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGEZNRSVGBDHLK-UHFFFAOYSA-N
PubChem SID: 11110642 SID: 11533040 SID: 124876930 SID: 144209196 SID: 144213428 SID: 17388818 SID: 17405543 SID: 4252490 SID: 50105542 SID: 50105543 SID: 50105544 SID: 85230866 SID: 90341127
Wikipedia Phenanthroline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL415879



ACToR 66-71-7
BindingDB 50092158
Brenda 66663 239 94537 15433 25947 6650 69251 62
ChEBI 44975
DrugBank DB02365
eMolecules 480572
EPA CompTox Dashboard DTXSID1025857
FDA SRS W4X6ZO7939
IBM Patent System 7AB478DEC0C9763E7736FD7686BFEF1C
KEGG Ligand C00604
LINCS LSM-18864
Mcule MCULE-2911225521
MolPort MolPort-000-884-337
Nikkaji J4.844E
NMRShiftDB 20127648
PDBe PHN
PubChem 1318
PubChem: Thomson Pharma 14772738
SureChEMBL SCHEMBL8312
ZINC ZINC000000164363

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DGEZNRSVGBDHLK-UHFFFAOYSA-N spacer
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