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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14925
CHEMBL14925
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13N5O2

Additional synonyms for CHEMBL14925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2C3CCC(CO)O3
Standard InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3 ...
Download InChI
Standard InChI Key WVXRAFOPTSTNLL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL14925

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
235.3 235.1069 0.08 2 99.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.82 -.22 -.22 2 17 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL14925. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WVXRAFOPTSTNLL-UHFFFAOYSA-N
PubChem SID: 402653

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14925



Brenda 93177
ChEBI 110174
IBM Patent System F733567EA4A6073D50880CC67D9A0826
LINCS LSM-21610
PubChem 263976
SureChEMBL SCHEMBL18572374

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