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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1969350
CHEMBL1969350
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H20N4S

Additional synonyms for CHEMBL1969350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CSCC(C)(C)\C(=N\N)\C\1=N/N
Standard InChI InChI=1S/C10H20N4S/c1-9(2)5-15-6-10(3,4)8(14-12)7(9)13-11/h5 ...
Download InChI
Standard InChI Key IYJYMSFBCJIDPX-FNCQTZNRSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1969350

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
228.4 228.1409 1.41 0 76.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.55 1.98 1.98 0 15 0.49

Structural Alerts

There are 5 structural alerts for CHEMBL1969350. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYJYMSFBCJIDPX-FNCQTZNRSA-N
PubChem SID: 511999

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1969350



PubChem 6869869
ZINC ZINC000018251295

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