ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118150
CHEMBL118150
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15N5O3S

Additional synonyms for CHEMBL118150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2N(CC=C)C(=S)N(COCCO)c2n1
Standard InChI InChI=1S/C11H15N5O3S/c1-2-3-15-7-8(13-10(12)14-9(7)18)16(11( ...
Download InChI
Standard InChI Key VXJXGFJVRLZUAS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118150

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
297.3 297.0896 2 6 140.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.42 .59 -1.38 1 20 0.41

Structural Alerts

There are 10 structural alerts for CHEMBL118150. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VXJXGFJVRLZUAS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118150



Nikkaji J682.236C
PubChem 10424704
PubChem: Thomson Pharma 15443659
ZINC ZINC000027108234

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