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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797995
CHEMBL1797995
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33ClN4O6

Additional synonyms for CHEMBL1797995 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H](N ...
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Standard InChI InChI=1S/C25H32N4O6.ClH/c1-15(2)10-21(26)25(32)29-13-17-11-2 ...
Download InChI
Standard InChI Key TXDMSLLRWIPBCE-VROPFNGYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797995

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
484.6 484.2322 1.84 9 143.22 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 8.6 2.84 1.61 2 35 0.31

Structural Alerts

There are 5 structural alerts for CHEMBL1797995. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TXDMSLLRWIPBCE-VROPFNGYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797995



PubChem 52950999
PubChem: Thomson Pharma 123102499

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