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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156628
CHEMBL156628
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H34BrN3O3

Additional synonyms for CHEMBL156628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C3CCC(C)(CC3)NC(=O)CBr
Standard InChI InChI=1S/C23H34BrN3O3/c1-22(2,16-7-10-23(3,11-8-16)27-21(29) ...
Download InChI
Standard InChI Key XSAGAZCYTLNCEN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156628

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
480.5 479.1784 3.74 9 86.38 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.95 9.73 2.92 .65 2 30 0.41

Structural Alerts

There are 14 structural alerts for CHEMBL156628. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XSAGAZCYTLNCEN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156628



ACToR 106469-52-7
IBM Patent System 5B5C177F71DB41BDAAC8FACB7BB8C038
Nikkaji J386.644K
PubChem 4827

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