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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1939384
CHEMBL1939384
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H21N5O3S

Additional synonyms for CHEMBL1939384 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2cc1C(=O)NCCOC(=O)NCCSc3cc2nc(N)n3
Standard InChI InChI=1S/C18H21N5O3S/c1-10-7-11(2)13-8-12(10)14-9-15(23-17(1 ...
Download InChI
Standard InChI Key OCXHPRWGVPUSAP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1939384

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
387.5 387.1365 1.9 0 119.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.55 2.46 .32 .32 2 27 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL1939384. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OCXHPRWGVPUSAP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1939384



BindingDB 50362222
PubChem 57390170
ZINC ZINC000073166354

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