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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1089186
CHEMBL1089186
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H33ClN4O2

Additional synonyms for CHEMBL1089186 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCOc1ccc(cc1)c2ccc(c3ccccc3Cl)n2Cc4ccc(NCCO)c(N)n4
Standard InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27- ...
Download InChI
Standard InChI Key JUOGTZUVNDFPCE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1089186

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
505.1 504.2292 6.89 12 85.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 6 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.6 5.05 5.05 4 36 0.18

Structural Alerts

There are 3 structural alerts for CHEMBL1089186. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUOGTZUVNDFPCE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1089186



BindingDB 50314995
Brenda 81928
IBM Patent System F4A4F0619E076BCA5A8CCB4D04E77B72
PubChem 11684817
PubChem: Thomson Pharma 16788989
ZINC ZINC000038246362

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