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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1269576
CHEMBL1269576
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H48ClF2N5O2

Additional synonyms for CHEMBL1269576 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C1CCOCC1)C2C[C@H]([C@@H](C2)c3ccc(F)cc3F)C(=O)N4CCC5(CC4) ...
Download SMILES
Standard InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32( ...
Download InChI
Standard InChI Key SOYXIWFQNXVTEV-DTTGCUBOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1269576

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
680.3 679.3465 7.05 6 63.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.63 5.57 3.47 3 48 0.28

Structural Alerts

There are no structural alerts for CHEMBL1269576

Compound Cross References

ChemSpider ChemSpider:SOYXIWFQNXVTEV-DTTGCUBOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1269576



BindingDB 50329959
PubChem 16746823
PubChem: Thomson Pharma 26732896

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