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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL381347
CHEMBL381347
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C41H37N5O6

Additional synonyms for CHEMBL381347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(c3)C(=O ...
Download SMILES
Standard InChI InChI=1S/C41H37N5O6/c1-27(2)45(32-21-23-33(52-3)24-22-32)36( ...
Download InChI
Standard InChI Key GZOQTTQGXSENKL-QNGWXLTQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL381347

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
695.8 695.2744 6.57 10 128.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 11 2 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.28 1.08 4.68 4.67 5 52 0.13

Structural Alerts

There are 2 structural alerts for CHEMBL381347. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZOQTTQGXSENKL-QNGWXLTQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL381347



BindingDB 50181434
PubChem 11571172
PubChem: Thomson Pharma 16673344
ZINC ZINC000150551201

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