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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34704
CHEMBL34704
Compound Name
ChEMBL Synonyms U-0126
Max Phase 0
Trade Names
Molecular Formula C18H16N6S2

Additional synonyms for CHEMBL34704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N\C(=C(\C#N)/C(=C(\N)/Sc1ccccc1N)/C#N)\Sc2ccccc2N
Standard InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12 ...
Download InChI
Standard InChI Key DVEXZJFMOKTQEZ-JYFOCSDGSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL34704. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL34704

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
380.5 380.0878 2.18 5 202.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 6 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.73 1.49 1.49 2 26 0.26

Compound Cross References

ChemSpider ChemSpider:DVEXZJFMOKTQEZ-JYFOCSDGSA-N
PubChem SID: 26752095 SID: 26752096 SID: 50104749
Wikipedia U0126

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34704



ACToR 109511-58-2
ChEBI 64208
eMolecules 1934373
FDA SRS 8027P94HLL
Guide to Pharmacology 5282
Nikkaji J1.372.691D
PDBe 5BM
PubChem 3006531
PubChem: Thomson Pharma 14804608
SureChEMBL SCHEMBL125063

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