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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL299671
CHEMBL299671
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H29NO3

Additional synonyms for CHEMBL299671 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c2cc(C)cc(C)c2
Standard InChI InChI=1S/C23H29NO3/c1-7-23(8-2,21(25)18-13-15(3)12-16(4)14-1 ...
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Standard InChI Key ZMHWUNQHVGUBMQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL299671

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
367.5 367.2147 5.58 7 55.4 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.43 - 4.55 4.55 2 27 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL299671. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZMHWUNQHVGUBMQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL299671



BindingDB 50128298
Nikkaji J1.875.549A
PubChem 44299261
SureChEMBL SCHEMBL18059034
ZINC ZINC000013490020

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