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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1773198
CHEMBL1773198
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H57N3O5

Additional synonyms for CHEMBL1773198 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](Cc1cccc(CC(=O)NCCCc2ccc(O)c(c2)[C@H](CCN(C(C)C)C(C)C) ...
Download SMILES
Standard InChI InChI=1S/C43H57N3O5/c1-29(2)46(30(3)4)20-18-39(35-14-7-6-8-1 ...
Download InChI
Standard InChI Key LKCQOFXWGIJPPL-KPNPWFHDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1773198

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
696 695.4298 6.99 19 125.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 3 8 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.24 10.68 5.66 1.76 4 51 0.06

Structural Alerts

There are 1 structural alerts for CHEMBL1773198. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LKCQOFXWGIJPPL-KPNPWFHDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1773198



BindingDB 50343154
PubChem 54583092
ZINC ZINC000072134026

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