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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2418348
CHEMBL2418348
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25N7O2

Additional synonyms for CHEMBL2418348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)Nc1ccc(cc1)c2nc(N3CCOC[C@@H]3C)c4c(cnn4C)n2
Standard InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)18-24- ...
Download InChI
Standard InChI Key VTYVKKWVPPWPFR-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2418348

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
395.5 395.207 2.4 4 97.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.83 5.01 2.54 2.54 3 29 0.7

Structural Alerts

There are no structural alerts for CHEMBL2418348

Compound Cross References

ChemSpider ChemSpider:VTYVKKWVPPWPFR-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2418348



BindingDB 50439518
PubChem 51039139
PubChem: Thomson Pharma 117699653
SureChEMBL SCHEMBL1608913
ZINC ZINC000096283253

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