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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1762200
CHEMBL1762200
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H21F2N3O

Additional synonyms for CHEMBL1762200 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO\N=C\1/CC(C)(C)Nc2cc(F)c(c(F)c12)c3cccc4cc[nH]c34
Standard InChI InChI=1S/C21H21F2N3O/c1-4-27-26-16-11-21(2,3)25-15-10-14(22) ...
Download InChI
Standard InChI Key MTAFUPWVPKKRQG-WGOQTCKBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1762200

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
369.4 369.1653 5.45 3 49.41 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.73 5.24 5.24 3 27 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL1762200. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTAFUPWVPKKRQG-WGOQTCKBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1762200



BindingDB 50340671
SureChEMBL SCHEMBL4199794
ZINC ZINC000071296562

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