ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1448331
CHEMBL1448331
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15P

Additional synonyms for CHEMBL1448331 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)P(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-1 ...
Download InChI
Standard InChI Key RIOQSEWOXXDEQQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1448331

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
262.3 262.0911 3.44 3 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
- - 5.69 5.69 3 19 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL1448331. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
PubChem SID: 144209312 SID: 144213611 SID: 17388680

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1448331



ACToR 603-35-0 112771-47-8
ChemicalBook CB8771461
eMolecules 482209
EPA CompTox Dashboard DTXSID5026251
FDA SRS 26D26OA393
IBM Patent System E5DD8EE4D1A8D5B28BE076CC1F8A48B7 D5925F70D14264E366E7E5A84EDCD569
Mcule MCULE-9122575728
MolPort MolPort-001-770-774
Nikkaji J1.652G
NMRShiftDB 10016912
PubChem 11776
PubChem: Thomson Pharma 14872394
SureChEMBL SCHEMBL101
ZINC ZINC000008585891

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