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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL290115
CHEMBL290115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H40ClN3O7

Additional synonyms for CHEMBL290115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc2ccc3OCOc3c2)C[C@H](O)[C@H](Cc4ccc ...
Download SMILES
Standard InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39 ...
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Standard InChI Key JZFCZNJOQYIEAF-CONSDPRKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL290115

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
650.2 649.2555 3.87 13 117.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 - 4.42 4.42 3 46 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL290115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JZFCZNJOQYIEAF-CONSDPRKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL290115



BindingDB 50076294
Brenda 114567
IBM Patent System 41B2342FEF620956082B83522EB6A43D
Nikkaji J1.081.903B
PubChem 10508444
PubChem: Thomson Pharma 15533392
ZINC ZINC000029226192

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