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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2163937
CHEMBL2163937
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30N2O3

Additional synonyms for CHEMBL2163937 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC1COc2cccc3C(=O)C(=CN1c23)C(=O)NC45CC6CC(CC(C6)C4)C5
Standard InChI InChI=1S/C25H30N2O3/c1-2-4-18-14-30-21-6-3-5-19-22(21)27(18) ...
Download InChI
Standard InChI Key VUTCGKUHSNNPKV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2163937

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
406.5 406.2256 4.43 4 60.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.05 - 3.51 3.51 2 30 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL2163937. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VUTCGKUHSNNPKV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2163937



BindingDB 50395161
PubChem 60195919

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