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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1629902
CHEMBL1629902
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H52N6O3

Additional synonyms for CHEMBL1629902 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1nn(CC)c(C2CCN(CC2)C(=O)CN3CN(c4ccccc4)C5(CCN(CC5)C(=O)c6 ...
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Standard InChI InChI=1S/C39H52N6O3/c1-7-33-28(3)35(45(8-2)40-33)29-18-22-41 ...
Download InChI
Standard InChI Key DCOYUNGQGIUHDY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1629902

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
652.9 652.4101 5.55 8 81.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 9 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.56 4.96 4.96 3 48 0.32

Structural Alerts

There are no structural alerts for CHEMBL1629902

Compound Cross References

ChemSpider ChemSpider:DCOYUNGQGIUHDY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1629902



BindingDB 50332400
PubChem 53323308
ZINC ZINC000072115372

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