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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2152859
CHEMBL2152859
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H18ClN3O

Additional synonyms for CHEMBL2152859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2[nH]cc(CCNC(=O)c3ccccc3c4ccc(cc4)C#N)c2c1
Standard InChI InChI=1S/C24H18ClN3O/c25-19-9-10-23-22(13-19)18(15-28-23)11- ...
Download InChI
Standard InChI Key FCSWXUCDKVWJEN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2152859

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
399.9 399.1138 5.33 5 68.68 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.71 3.71 4 29 0.48

Structural Alerts

There are no structural alerts for CHEMBL2152859

Compound Cross References

ChemSpider ChemSpider:FCSWXUCDKVWJEN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2152859



BindingDB 50393083
PubChem 67973277
SureChEMBL SCHEMBL9936183
ZINC ZINC000095575975

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