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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608918
CHEMBL608918
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H25N5O4

Additional synonyms for CHEMBL608918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Standard InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21( ...
Download InChI
Standard InChI Key JHIMHVBCQIZHLQ-VTRSQVMYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608918

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
351.4 351.1907 0.14 7 139.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 4.84 1.82 1.81 2 25 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL608918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JHIMHVBCQIZHLQ-VTRSQVMYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608918



BindingDB 50369168
PubChem 46875713

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