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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL89345
CHEMBL89345
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H40N4O2

Additional synonyms for CHEMBL89345 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCn1c(nc(c2ccc(cc2)N(C)C)c1c3ccc(cc3)N(C)C)c4ccc(cc4)C(= ...
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Standard InChI InChI=1S/C33H40N4O2/c1-7-8-9-10-23-37-31(25-17-21-29(22-18-2 ...
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Standard InChI Key CWNHXMDLIUTRIZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL89345

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
524.7 524.3151 7.38 11 50.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 6 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 6.5 5.89 4 39 0.15

Structural Alerts

There are 3 structural alerts for CHEMBL89345. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CWNHXMDLIUTRIZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL89345



Nikkaji J1.430.123B
PubChem 15512300
SureChEMBL SCHEMBL8798196
ZINC ZINC000026578595

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