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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1743360
CHEMBL1743360
Compound Name
ChEMBL Synonyms 4-(1-Propynyl) Biphenyl | 4-Propynyl Biphenyl
Max Phase 0
Trade Names
Molecular Formula C15H12

Additional synonyms for CHEMBL1743360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC#Cc1ccc(cc1)c2ccccc2
Standard InChI InChI=1S/C15H12/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h ...
Download InChI
Standard InChI Key IWCMDTYRWZFWNU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1743360

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
192.3 192.0939 3.73 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.84 4.84 2 15 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL1743360. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IWCMDTYRWZFWNU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1743360



BindingDB 50418082
EPA CompTox Dashboard DTXSID30478278
IBM Patent System 7AC1D5024DD6301C4131B6C8639249F2
Nikkaji J806.663I
PubChem 12136078
SureChEMBL SCHEMBL5680537
ZINC ZINC000071340692

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