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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1581343
CHEMBL1581343
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H17ClN4S

Additional synonyms for CHEMBL1581343 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNc1nc(NC)nc(Cl)c1SC
Standard InChI InChI=1S/C10H17ClN4S/c1-4-5-6-13-9-7(16-3)8(11)14-10(12-2)15 ...
Download InChI
Standard InChI Key RFWAAPBRARWPPL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1581343

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
260.8 260.0862 3.47 6 75.14 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.22 3.94 3.94 1 16 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL1581343. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFWAAPBRARWPPL-UHFFFAOYSA-N
PubChem SID: 24820995

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1581343



eMolecules 4855582
Mcule MCULE-8751609980
MolPort MolPort-002-851-336
PubChem 2765582
ZINC ZINC000004013227

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