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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL85291
CHEMBL85291
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H39N5O5

Additional synonyms for CHEMBL85291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc(cc1)C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5cc ...
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Standard InChI InChI=1S/C34H39N5O5/c1-3-44-28-17-11-25(12-18-28)34(19-7-4-8 ...
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Standard InChI Key UGDBOJPMQKHDTD-XIFFEERXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL85291

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
597.7 597.2951 6.62 11 138.39 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 - 7.6 7.6 4 44 0.11

Structural Alerts

There are 7 structural alerts for CHEMBL85291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGDBOJPMQKHDTD-XIFFEERXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL85291



BindingDB 50071742
PubChem 44321245
ZINC ZINC000026576813

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