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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL572908
CHEMBL572908
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26N4O

Additional synonyms for CHEMBL572908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1c4ccc5cnccc5c4
Standard InChI InChI=1S/C27H26N4O/c1-2-26-25(19-7-8-20-14-29-10-9-18(20)11- ...
Download InChI
Standard InChI Key OEHOCIQYICKICV-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL572908

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
422.5 422.2107 4.29 7 76.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.24 2.53 .93 5 32 0.41

Structural Alerts

There are no structural alerts for CHEMBL572908

Compound Cross References

ChemSpider ChemSpider:OEHOCIQYICKICV-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL572908



BindingDB 50298451
PubChem 45481616
ZINC ZINC000045284053

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