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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL323457
CHEMBL323457
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16ClN5O8P2

Additional synonyms for CHEMBL323457 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1nc(Cl)nc2c1ncn2CC=C(COP(=O)(O)O)COP(=O)(O)O
Standard InChI InChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8 ...
Download InChI
Standard InChI Key HSEYIZMENQZQTL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL323457

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
443.7 443.0163 0.67 9 189.15 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 13 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.54 1.46 -3.31 -9.32 2 27 0.21

Structural Alerts

There are 9 structural alerts for CHEMBL323457. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HSEYIZMENQZQTL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL323457



BindingDB 50104018
Nikkaji J1.642.670I
PubChem 10895531
PubChem: Thomson Pharma 15943016
ZINC ZINC000013864030

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