ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324209
CHEMBL2324209
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H45N9O8

Additional synonyms for CHEMBL2324209 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[ ...
Download SMILES
Standard InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30( ...
Download InChI
Standard InChI Key BZKOMDWHRRVIDX-DFZCOPKLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324209

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
743.8 743.3391 0.69 20 294.71 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 11 2 17 13 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.44 13.27 1.23 -1.27 4 54 0.02

Structural Alerts

There are 12 structural alerts for CHEMBL2324209. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZKOMDWHRRVIDX-DFZCOPKLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324209



BindingDB 50427713
PubChem 71717487
ZINC ZINC000095583270

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