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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1798003
CHEMBL1798003
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H49N5O9

Additional synonyms for CHEMBL1798003 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2Cc3cc( ...
Download SMILES
Standard InChI InChI=1S/C36H49N5O9/c1-7-22(2)31(38-32(43)23-14-16-40(17-15- ...
Download InChI
Standard InChI Key WSQJERGTYUHNMQ-ACXWPOHUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1798003

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
695.8 695.353 3.65 11 175.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 14 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 1.22 4.55 4.55 2 50 0.2

Structural Alerts

There are 8 structural alerts for CHEMBL1798003. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSQJERGTYUHNMQ-ACXWPOHUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1798003



BindingDB 50346743
PubChem 52951359
PubChem: Thomson Pharma 123102881
ZINC ZINC000072172177

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