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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL357951
CHEMBL357951
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H26N6O2

Additional synonyms for CHEMBL357951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(Cc2ccccc2)c(C(=O)O)c1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
Standard InChI InChI=1S/C28H26N6O2/c1-2-16-34-25(26(28(35)36)24(31-34)17-19 ...
Download InChI
Standard InChI Key CPVVUAHCXVDNNG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL357951

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
478.6 478.2117 5.02 9 109.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.72 .69 6.01 1.89 5 36 0.31

Structural Alerts

There are no structural alerts for CHEMBL357951

Compound Cross References

ChemSpider ChemSpider:CPVVUAHCXVDNNG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357951



PubChem 10552655
PubChem: Thomson Pharma 15579727
ZINC ZINC000013760998

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