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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL592414
CHEMBL592414
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H46N4O6

Additional synonyms for CHEMBL592414 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC(=O)Oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(= ...
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Standard InChI InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)3 ...
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Standard InChI Key IKNOZZKXIDSTRN-PXLJZGITSA-N

Structural Alerts

There are 8 structural alerts for CHEMBL592414. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL592414

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
678.8 678.3417 6.29 14 148.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 2 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.68 10.43 8.02 5.28 3 50 0.09

Compound Cross References

ChemSpider ChemSpider:IKNOZZKXIDSTRN-PXLJZGITSA-N
PubChem SID: 29217556
Wikipedia Galnon

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL592414



eMolecules 32278421
Guide to Pharmacology 6118
Nikkaji J1.735.181H
PubChem 5311268
SureChEMBL SCHEMBL4464884

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