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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1762211
CHEMBL1762211
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H18ClF2N3O2

Additional synonyms for CHEMBL1762211 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C\1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)c3cccc4c(Cl)c[nH]c34
Standard InChI InChI=1S/C20H18ClF2N3O2/c1-20(2)19(27)18(26-28-3)15-13(25-20 ...
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Standard InChI Key HIEURQCNSGIVBQ-ITYLOYPMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1762211

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
405.8 405.1056 4.68 2 69.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.57 1.4 5.17 5.17 3 28 0.54

Structural Alerts

There are 6 structural alerts for CHEMBL1762211. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIEURQCNSGIVBQ-ITYLOYPMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1762211



BindingDB 50340666
SureChEMBL SCHEMBL4201334

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