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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1939375
CHEMBL1939375
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24N4O2S

Additional synonyms for CHEMBL1939375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2cc1C(=O)NCCCCOc3cccc(Sc4cc2nc(N)n4)c3
Standard InChI InChI=1S/C23H24N4O2S/c1-14-10-15(2)19-12-18(14)20-13-21(27-2 ...
Download InChI
Standard InChI Key INCKCPRNUKUIPD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1939375

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
420.5 420.162 4.4 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
- 2.02 5.5 5.5 3 30 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL1939375. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:INCKCPRNUKUIPD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1939375



BindingDB 50362230
IBM Patent System 590F2B42EB483968EA80CEA5A322BB54
PubChem 25177718
PubChem: Thomson Pharma 57283911
SureChEMBL SCHEMBL13411844
ZINC ZINC000073219425

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