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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL44201
CHEMBL44201
Compound Name BIPHENYL-4-AMINE
ChEMBL Synonyms Biphenyl-4-Amine
Max Phase 0
Trade Names
Molecular Formula C12H11N

Additional synonyms for CHEMBL44201 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)c2ccccc2
Standard InChI InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H, ...
Download InChI
Standard InChI Key DMVOXQPQNTYEKQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL44201

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
169.2 169.0891 2.94 1 26.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.26 2.89 2.89 2 13 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL44201. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMVOXQPQNTYEKQ-UHFFFAOYSA-N
PubChem SID: 144207574 SID: 17390045 SID: 87334333
Wikipedia 4-Aminobiphenyl

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL44201



ACToR 92-67-1
Brenda 3402
ChEBI 1784
ChemicalBook CB7229899
eMolecules 510811
EPA CompTox Dashboard DTXSID5020071
FDA SRS 16054949HJ
Human Metabolome Database HMDB0013195
IBM Patent System 522B4F9F11E1376234DFE7601C4251C3
KEGG Ligand C10998
Mcule MCULE-6526794731
MolPort MolPort-000-869-454
Nikkaji J3.931D
NMRShiftDB 20031235
PubChem 7102
PubChem: Thomson Pharma 14769557
SureChEMBL SCHEMBL62469
ZINC ZINC000038338719

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