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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1098083
CHEMBL1098083
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H29ClN9O13P3

Additional synonyms for CHEMBL1098083 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.N.N.N.CNc1nc(Cl)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O) ...
Download SMILES
Standard InChI InChI=1S/C11H17ClN5O13P3.4H3N/c1-13-8-5-9(16-11(12)15-8)17(3 ...
Download InChI
Standard InChI Key WUAFZHKHKNPRCP-KWIZKVQNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1098083

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
555.7 554.9724 -0.52 9 265.14 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 7 3 18 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 1.43 -2.07 -8.08 2 33 0.15

Structural Alerts

There are 11 structural alerts for CHEMBL1098083. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WUAFZHKHKNPRCP-KWIZKVQNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1098083



PubChem 46222213
PubChem: Thomson Pharma 96076894

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