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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL182287
CHEMBL182287
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H37N3O3

Additional synonyms for CHEMBL182287 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)OC(C)(C)C)c(C)c1
Standard InChI InChI=1S/C27H37N3O3/c1-7-30(8-2)22-13-14-23(19(3)17-22)28-24 ...
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Standard InChI Key XLNFGGYXQMMBSN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL182287

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
451.6 451.2835 5.23 6 70.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.59 7.29 4.78 4.36 2 33 0.63

Structural Alerts

There are 4 structural alerts for CHEMBL182287. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLNFGGYXQMMBSN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL182287



IBM Patent System 8D447B8BC68D54588F188F57C478464F
PubChem 11236315
PubChem: Thomson Pharma 16320262
SureChEMBL SCHEMBL5835556

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