ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL35309
CHEMBL35309
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H37N2O6P

Additional synonyms for CHEMBL35309 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](OP(=O)(O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C(=O)O ...
Download SMILES
Standard InChI InChI=1S/C27H37N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13 ...
Download InChI
Standard InChI Key UFLPIELGAQYNCT-SDHOMARFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL35309

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
516.6 516.2389 4.18 14 130.16 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 8 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.56 10.41 3.58 .08 2 36 0.25

Structural Alerts

There are 8 structural alerts for CHEMBL35309. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFLPIELGAQYNCT-SDHOMARFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL35309



BindingDB 50406391
PubChem 14630739
ZINC ZINC000013600013

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