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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL290357
CHEMBL290357
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H33N2O5P

Additional synonyms for CHEMBL290357 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CC(N)P(=O)(O)CC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)O
Standard InChI InChI=1S/C24H33N2O5P/c1-17(2)13-22(25)32(30,31)16-20(14-18-9 ...
Download InChI
Standard InChI Key TXXKMCPWNCYHRN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL290357

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
460.5 460.2127 3.26 12 129.72 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.72 1.75 -1.75 2 32 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL290357. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TXXKMCPWNCYHRN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL290357



PubChem 44284679

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