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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL307780
CHEMBL307780
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H22P2

Additional synonyms for CHEMBL307780 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(P(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21- ...
Download InChI
Standard InChI Key XGCDBGRZEKYHNV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL307780

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
384.4 384.1197 8.06 6 27.18 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.01 7.01 4 27 0.31

Structural Alerts

There are 4 structural alerts for CHEMBL307780. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XGCDBGRZEKYHNV-UHFFFAOYSA-N
Wikipedia 1,1-Bis(diphenylphosphino)methane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL307780



ACToR 2071-20-7
eMolecules 480163
EPA CompTox Dashboard DTXSID10174766
FDA SRS I5O2HZR38V
IBM Patent System C4275467B67998726910CCC0057C6833
MolPort MolPort-001-764-549
Nikkaji J106.008B
NMRShiftDB 20208583
PubChem 74952
PubChem: Thomson Pharma 15276275
SureChEMBL SCHEMBL114543
ZINC ZINC000001729397

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