ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL358396
CHEMBL358396
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28N6

Additional synonyms for CHEMBL358396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(cc1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)C(C)(C)C
Standard InChI InChI=1S/C24H28N6/c1-5-14-30-19(16-22(27-30)24(2,3)4)15-17-1 ...
Download InChI
Standard InChI Key RTRDIAQDXUIRDM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL358396

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
400.5 400.2375 5.03 6 72.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.25 3.02 5.58 3.61 4 30 0.49

Structural Alerts

There are no structural alerts for CHEMBL358396

Compound Cross References

ChemSpider ChemSpider:RTRDIAQDXUIRDM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL358396



PubChem 10525041
PubChem: Thomson Pharma 15551033
ZINC ZINC000013761009

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