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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1086075
CHEMBL1086075
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24ClFN4O3

Additional synonyms for CHEMBL1086075 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1ncc(Cl)c1c2cc(NC(=O)c3cccc(F)c3)ccc2OCCN4CCOCC4
Standard InChI InChI=1S/C23H24ClFN4O3/c1-28-22(20(24)15-26-28)19-14-18(27-2 ...
Download InChI
Standard InChI Key ZXMJHFMVWGWPPT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1086075

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
458.9 458.1521 3.84 7 68.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.14 6.35 2.3 2.26 3 32 0.58

Structural Alerts

There are no structural alerts for CHEMBL1086075

Compound Cross References

ChemSpider ChemSpider:ZXMJHFMVWGWPPT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1086075



BindingDB 50319419
IBM Patent System 33CECE29DC4444F9A85950FE06064D64
PubChem 46833074
PubChem: Thomson Pharma 99210963
SureChEMBL SCHEMBL1165680
ZINC ZINC000049053201

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