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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL383301
CHEMBL383301
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H43N3O4

Additional synonyms for CHEMBL383301 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(c2)c3ccc(C ...
Download SMILES
Standard InChI InChI=1S/C31H43N3O4/c1-5-9-26(30(36)33-38)27(18-21(2)3)29(35 ...
Download InChI
Standard InChI Key AUFVSWSDCLCHTF-IARZGTGTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL383301

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
521.7 521.3254 5.24 11 98.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 2 7 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.4 - 5.39 5.38 2 38 0.28

Structural Alerts

There are 6 structural alerts for CHEMBL383301. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AUFVSWSDCLCHTF-IARZGTGTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL383301



IBM Patent System 16BEDB74FCCB475CF56E4DBC3CC15010
PubChem 9828093
PubChem: Thomson Pharma 14787300
SureChEMBL SCHEMBL4490684
ZINC ZINC000044053455

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