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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1097652
CHEMBL1097652
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H32N9O13P3

Additional synonyms for CHEMBL1097652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.N.N.N.Nc1nc(nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(= ...
Download SMILES
Standard InChI InChI=1S/C18H20N5O13P3.4H3N/c19-16-13-17(22-12(21-16)7-6-10- ...
Download InChI
Standard InChI Key WZEZLTFBDDXDIH-YCLZTDOVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1097652

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
607.3 607.027 -0.32 10 308.56 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
17 7 3 18 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 2.09 -1.35 -7.37 3 39 0.12

Structural Alerts

There are 11 structural alerts for CHEMBL1097652. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZEZLTFBDDXDIH-YCLZTDOVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1097652



PubChem 11433865
PubChem: Thomson Pharma 16531252

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