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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1939379
CHEMBL1939379
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23N5O2S

Additional synonyms for CHEMBL1939379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2cc1C(=O)NCCCNC(=O)CCSc3cc2nc(N)n3
Standard InChI InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19( ...
Download InChI
Standard InChI Key OMFBVBRFVYLRQT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1939379

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
385.5 385.1572 2.07 0 110 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.27 1.58 1.58 2 27 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL1939379. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMFBVBRFVYLRQT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1939379



BindingDB 50362220
IBM Patent System 382E3C1B996F67A9AC7AFAB38D991117
Nikkaji J2.908.591I
PDBe VHE
PubChem 49784851
PubChem: Thomson Pharma 103057458
SureChEMBL SCHEMBL13411826
ZINC ZINC000043200420

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