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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2385586
CHEMBL2385586
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N7

Additional synonyms for CHEMBL2385586 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN(CCN1)c2ccc(cc2)c3cnc4c(cnn4c3)c5cn[nH]c5
Standard InChI InChI=1S/C19H19N7/c1-3-17(25-7-5-20-6-8-25)4-2-14(1)16-9-21- ...
Download InChI
Standard InChI Key WMTXIPYJYDISKM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2385586

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
345.4 345.1702 2.2 3 74.14 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 8.79 -.2 -1.38 4 26 0.6

Structural Alerts

There are no structural alerts for CHEMBL2385586

Compound Cross References

ChemSpider ChemSpider:WMTXIPYJYDISKM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2385586



BindingDB 50434749
PubChem 60182373
ZINC ZINC000096270776

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