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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1093152
CHEMBL1093152
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H20ClN3O

Additional synonyms for CHEMBL1093152 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)c2ccc(c3ccccc3Cl)n2Cc4cccc(N)n4
Standard InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(1 ...
Download InChI
Standard InChI Key YCLYXZNWHAWIQN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1093152

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
389.9 389.1295 5.84 5 53.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.84 4.53 4.53 4 28 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL1093152. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YCLYXZNWHAWIQN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1093152



BindingDB 50315006
Brenda 162370
IBM Patent System 070309F6723DCEE8CFB7E8EE1B95BEFA
PubChem 11574638
PubChem: Thomson Pharma 16676998
SureChEMBL SCHEMBL3021530
ZINC ZINC000035847430

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