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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1194310
CHEMBL1194310
Compound Name SYNTHALIN
ChEMBL Synonyms Anticoman
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

Sources

  • PubChem BioAssays
  • Scientific Literature

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 #Rotatable Bonds Polar Surface Area Molecular Species
256.4 256.2375 1.64 13 123.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 6 1 6 8 1


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

Structural Alerts

There are 12 structural alerts for CHEMBL1194310. To view alerts please click here.

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



ACToR 111-23-9
ChEBI 84338
eMolecules 1934101
IBM Patent System 6BB0214AA362302DBB90E86E883A94B7
MolPort MolPort-006-147-810
Nikkaji J9.720I
PubChem 66977
PubChem: Thomson Pharma 15367537
SureChEMBL SCHEMBL336302
ZINC ZINC000003995661

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