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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1194310
CHEMBL1194310
Compound Name SYNTHALIN
ChEMBL Synonyms Anticoman | SID26751813 | SID11113613
Max Phase 0
Trade Names
Molecular Formula C12H28N6

Additional synonyms for CHEMBL1194310 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCCCCCCCCCNC(=N)N
Standard InChI InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15 ...
Download InChI
Standard InChI Key OZZMUVKANAPKGI-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL1194310

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
256.4 256.2375 1.64 1 13 No No BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 13.91 .15 -2.85 0 18 3 0.17

Compound Cross References

ChemSpider ChemSpider:OZZMUVKANAPKGI-UHFFFAOYSA-N
PubChem SID: 11113613 SID: 26751813
Wikipedia Synthalin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1194310



eMolecules 1934101
IBM Patent System 6BB0214AA362302DBB90E86E883A94B7
PubChem: Thomson Pharma 15367537
PubChem 66977

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