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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219094
CHEMBL219094
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H28N2O3

Additional synonyms for CHEMBL219094 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Standard InChI InChI=1S/C17H28N2O3/c20-15(21)4-2-1-3-5-18-16(22)19-17-9-12- ...
Download InChI
Standard InChI Key ZNKUWKKIKBMNHZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219094

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
308.4 308.21 2.9 7 78.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 2.76 .13 0 22 0.63

Structural Alerts

There are 4 structural alerts for CHEMBL219094. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZNKUWKKIKBMNHZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219094



BindingDB 25735
IBM Patent System DB0A34146F538EFBAA4ABF9DD5F53681
PubChem 25093349
SureChEMBL SCHEMBL12932218

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