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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207745
CHEMBL207745
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H26N2O2

Additional synonyms for CHEMBL207745 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
Standard InChI InChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16- ...
Download InChI
Standard InChI Key NZWXLQGBITVFAR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL207745

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
302.4 302.1994 3.48 6 43.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.18 3.18 2 22 0.89

Structural Alerts

There are 1 structural alerts for CHEMBL207745. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NZWXLQGBITVFAR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207745



BindingDB 50188406
PubChem 11681026
PubChem: Thomson Pharma 16785152
ZINC ZINC000036188161

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