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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1093807
CHEMBL1093807
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H32ClN3O3

Additional synonyms for CHEMBL1093807 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCOc1ccc(cc1)c2ccc(c3ccccc3Cl)n2Cc4ccc(OCCO)c(N)n4
Standard InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26- ...
Download InChI
Standard InChI Key PDJLJWDUNPWSBA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1093807

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
506.1 505.2132 6.44 12 82.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 6 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.99 4.87 5.83 5.83 4 36 0.22

Structural Alerts

There are 3 structural alerts for CHEMBL1093807. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PDJLJWDUNPWSBA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1093807



BindingDB 50314996
Brenda 162207
IBM Patent System 554AC9713CE3980524043FCA3C9EFAF8
PubChem 11504350
PubChem: Thomson Pharma 16606235
ZINC ZINC000049070693

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