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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL112655
CHEMBL112655
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H34NO4P

Additional synonyms for CHEMBL112655 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1
Standard InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13- ...
Download InChI
Standard InChI Key BGPIKLDZOZBUEW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL112655

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
371.5 371.2225 4.15 13 113.59 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.94 9.74 3.99 1.28 1 25 0.31

Structural Alerts

There are 9 structural alerts for CHEMBL112655. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BGPIKLDZOZBUEW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL112655



IBM Patent System 5E556F46ADA8FC1CE5F609217F8082D4
PubChem 10172545
PubChem: Thomson Pharma 15166603
SureChEMBL SCHEMBL14338632

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