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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL358236
CHEMBL358236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25N7O

Additional synonyms for CHEMBL358236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1nc(C)c(C(=O)N)c1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
Standard InChI InChI=1S/C23H25N7O/c1-3-4-13-30-20(21(22(24)31)15(2)27-30)14 ...
Download InChI
Standard InChI Key JRJMRXQWRZUUAH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL358236

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
415.5 415.2121 3.53 8 115.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.25 1.04 2.71 .74 4 31 0.46

Structural Alerts

There are no structural alerts for CHEMBL358236

Compound Cross References

ChemSpider ChemSpider:JRJMRXQWRZUUAH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL358236



PubChem 10669541
PubChem: Thomson Pharma 15702282
ZINC ZINC000013761004

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