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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL304191
CHEMBL304191
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H52N6O8

Additional synonyms for CHEMBL304191 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC ...
Download SMILES
Standard InChI InChI=1S/C40H52N6O8/c1-7-23(3)22-41-36(50)25(5)43-39(53)32(2 ...
Download InChI
Standard InChI Key USKHZVUKGMGKMN-IPLXQDJTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL304191

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
744.9 744.3847 3.3 19 211.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 7 2 14 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 .45 4.81 1.72 3 54 0.1

Structural Alerts

There are 2 structural alerts for CHEMBL304191. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:USKHZVUKGMGKMN-IPLXQDJTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL304191



BindingDB 50091747
PubChem 44301739
ZINC ZINC000029571748

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