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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970195
CHEMBL1970195
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3O2S

Additional synonyms for CHEMBL1970195 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=N\NC(=O)c2sc(C)nc2C)cc1
Standard InChI InChI=1S/C14H15N3O2S/c1-9-13(20-10(2)16-9)14(18)17-15-8-11-4 ...
Download InChI
Standard InChI Key GFMOWRKGOXSSSO-OVCLIPMQSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970195

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
289.4 289.0885 2.53 4 63.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 2.44 .52 .52 2 20 0.69

Structural Alerts

There are 4 structural alerts for CHEMBL1970195. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GFMOWRKGOXSSSO-OVCLIPMQSA-N
PubChem SID: 24829466

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970195



eMolecules 26160180
MolPort MolPort-004-243-617
PubChem 6899400
ZINC ZINC000003173632

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