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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274022
CHEMBL274022
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23N5O4

Additional synonyms for CHEMBL274022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Cc1ccccc1)Nc2ncnc3c2ncn3C4OC(CO)C(O)C4O
Standard InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9 ...
Download InChI
Standard InChI Key RIRGCFBBHQEQQH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL274022

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
385.4 385.175 0.48 6 125.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 3.3 1.87 1.87 3 28 0.48

Structural Alerts

There are no structural alerts for CHEMBL274022

Compound Cross References

ChemSpider ChemSpider:RIRGCFBBHQEQQH-UHFFFAOYSA-N
PubChem SID: 46500337

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274022



BindingDB 50006730
PubChem 5022
SureChEMBL SCHEMBL14829806

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