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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL511712
CHEMBL511712
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18ClN3O2

Additional synonyms for CHEMBL511712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CCO)CCn1nc2c3cccc(Cl)c3C(=O)c4cccc1c24
Standard InChI InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(1 ...
Download InChI
Standard InChI Key YNCNPACQCPGDEK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL511712

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
355.8 355.1088 3.46 5 58.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 3.63 3 3 25 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL511712. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNCNPACQCPGDEK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL511712



BindingDB 50251129
PubChem 44567396
SureChEMBL SCHEMBL13958483
ZINC ZINC000040874260

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