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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250608
CHEMBL250608
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H29N3O3S

Additional synonyms for CHEMBL250608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c3cc(ccc13)C(=O)N4CCC(C)CC4
Standard InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8 ...
Download InChI
Standard InChI Key MORUSKYOVHFQPY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL250608

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
415.6 415.193 3.21 5 62.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.99 1.78 1.76 2 29 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL250608. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MORUSKYOVHFQPY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250608



BindingDB 50222800
PubChem 44443423
ZINC ZINC000028955361

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