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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL212614
CHEMBL212614
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H48N10O5

Additional synonyms for CHEMBL212614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N3CCN([C@@H](CCCN=C(N)N)C3=O)C( ...
Download SMILES
Standard InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35( ...
Download InChI
Standard InChI Key FJSKRKLUQFIKJP-HWFRFQLBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL212614

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
736.9 736.3809 0.79 16 221 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 13.44 -.02 -2.1 4 54 0.05

Structural Alerts

There are 5 structural alerts for CHEMBL212614. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FJSKRKLUQFIKJP-HWFRFQLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL212614



BindingDB 50189013
PubChem 44415913
ZINC ZINC000049938435

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