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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324201
CHEMBL2324201
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H45N9O9

Additional synonyms for CHEMBL2324201 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO) ...
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Standard InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29( ...
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Standard InChI Key BHQDUEIUHBHLON-JGGKKDDOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324201

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
759.8 759.334 -0.34 20 314.94 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 12 2 18 14 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.44 13.27 .95 -1.55 4 55 0.02

Structural Alerts

There are 12 structural alerts for CHEMBL2324201. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BHQDUEIUHBHLON-JGGKKDDOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324201



BindingDB 50427696
PubChem 71601333
PubChem: Thomson Pharma 163682329
ZINC ZINC000095581247

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