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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL573468
CHEMBL573468
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H30N4O2

Additional synonyms for CHEMBL573468 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(C)c4cccc(C2=C1)c34)C(=O)Nc ...
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Standard InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23 ...
Download InChI
Standard InChI Key FXNPEDAMRUWVAY-NTKDMRAZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL573468

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 4.52 4 57.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.75 .22 3.93 3.93 3 33 0.65

Structural Alerts

There are no structural alerts for CHEMBL573468

Compound Cross References

ChemSpider ChemSpider:FXNPEDAMRUWVAY-NTKDMRAZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL573468



BindingDB 50299171
PubChem 45482836
ZINC ZINC000045286095

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