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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1939376
CHEMBL1939376
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N4O2S

Additional synonyms for CHEMBL1939376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2cc1C(=O)NCCCCCOc3cccc(Sc4cc2nc(N)n4)c3
Standard InChI InChI=1S/C24H26N4O2S/c1-15-11-16(2)20-13-19(15)21-14-22(28-2 ...
Download InChI
Standard InChI Key YWAQMMAZMRHPRU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1939376

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
434.6 434.1776 4.79 0 90.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.94 5.86 5.86 3 31 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL1939376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YWAQMMAZMRHPRU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1939376



BindingDB 50362229
IBM Patent System 5A9C11BCFDF161E19726F5149B1B02B4
PubChem 25176885
PubChem: Thomson Pharma 57283063
SureChEMBL SCHEMBL13411845
ZINC ZINC000073224242

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