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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2030080
CHEMBL2030080
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28N2O2

Additional synonyms for CHEMBL2030080 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1cccc(OCC2Cc3ccccc3CN2C(=O)c4cccc5ccccc45)c1
Standard InChI InChI=1S/C29H28N2O2/c1-30(2)24-13-8-14-26(18-24)33-20-25-17- ...
Download InChI
Standard InChI Key YDBIGTPIWPFGJX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2030080

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
436.5 436.2151 5.63 5 32.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.61 5.95 5.95 4 33 0.41

Structural Alerts

There are no structural alerts for CHEMBL2030080

Compound Cross References

ChemSpider ChemSpider:YDBIGTPIWPFGJX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2030080



BindingDB 50383681
PubChem 70683652
SureChEMBL SCHEMBL16889023

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