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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162330
CHEMBL162330
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H43N5O2

Additional synonyms for CHEMBL162330 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN3CCN(CC3)c4ccccc4)CC5CC ...
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Standard InChI InChI=1S/C32H43N5O2/c1-25(38)37(22-26-10-4-2-5-11-26)23-28(2 ...
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Standard InChI Key CEDFHOSQBBFKHX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL162330

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
529.7 529.3417 4.45 10 71.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.75 4.45 4.44 3 39 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL162330. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CEDFHOSQBBFKHX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162330



BindingDB 50049333
Nikkaji J728.043B
PubChem 10506376
PubChem: Thomson Pharma 15531380

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