ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1897373
CHEMBL1897373
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H20ClN3O

Additional synonyms for CHEMBL1897373 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n2cncn2
Standard InChI InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-1 ...
Download InChI
Standard InChI Key RMOGWMIKYWRTKW-UONOGXRCSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1897373

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
293.8 293.1295 3.12 4 50.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.92 2.57 2.79 2.79 2 20 0.94

Structural Alerts

There are no structural alerts for CHEMBL1897373

Compound Cross References

ChemSpider ChemSpider:RMOGWMIKYWRTKW-UONOGXRCSA-N
PubChem SID: 26757727 SID: 26757872

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1897373



ACToR 66346-05-2
Brenda 21738
ChEBI 139344
EPA CompTox Dashboard DTXSID30216556
MolPort MolPort-044-183-455
Nikkaji J646.519F
PubChem 73671
SureChEMBL SCHEMBL36911
ZINC ZINC000002004091

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