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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571625
CHEMBL1571625
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12N4O2S

Additional synonyms for CHEMBL1571625 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=NN(C(=O)C1\C=C\2/NC(=S)NC2=O)c3ccccc3
Standard InChI InChI=1S/C14H12N4O2S/c1-8-10(7-11-12(19)16-14(21)15-11)13(20 ...
Download InChI
Standard InChI Key UFKNVXBWMBITCM-XFFZJAGNSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571625

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
300.3 300.0681 0.91 2 73.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.27 1.35 -1.16 -1.22 1 21 0.63

Structural Alerts

There are 7 structural alerts for CHEMBL1571625. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFKNVXBWMBITCM-XFFZJAGNSA-N
PubChem SID: 24806488

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571625



LINCS LSM-44268
PubChem 5346344

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