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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL583914
CHEMBL583914
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27N7O

Additional synonyms for CHEMBL583914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1C4=Nc5c(cnn5C6CCCC6)C(=O)N ...
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Standard InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8- ...
Download InChI
Standard InChI Key SNCRCEGCQVMUBS-DNVCBOLYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL583914

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
429.5 429.2277 3.41 4 92.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.93 7.92 1.7 .84 4 32 0.53

Structural Alerts

There are no structural alerts for CHEMBL583914

Compound Cross References

ChemSpider ChemSpider:SNCRCEGCQVMUBS-DNVCBOLYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL583914



BindingDB 50300113
FDA SRS M60FW04V24
IBM Patent System E35F1D61A7297F605CB57C7EE035CAE1
PubChem: Thomson Pharma 56440934
SureChEMBL SCHEMBL1717115

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