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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL584356
CHEMBL584356
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H30N4O2

Additional synonyms for CHEMBL584356 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc ...
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Standard InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-22-21-10-7-11-23 ...
Download InChI
Standard InChI Key XQFSXHZCPXWBLA-NTKDMRAZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL584356

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
442.6 442.2369 4.82 4 68.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.75 .38 5.78 5.78 3 33 0.61

Structural Alerts

There are no structural alerts for CHEMBL584356

Compound Cross References

ChemSpider ChemSpider:XQFSXHZCPXWBLA-NTKDMRAZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL584356



BindingDB 50299174
PubChem 45482795
ZINC ZINC000045320419

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