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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032029
CHEMBL2032029
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H27N5O5

Additional synonyms for CHEMBL2032029 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(C)O)N(C4=O)c5ccccc5)nc3)c ...
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Standard InChI InChI=1S/C29H27N5O5/c1-18(35)17-33-19(2)27(29(37)34(33)20-7- ...
Download InChI
Standard InChI Key JQKLADMYWZPROY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032029

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
525.6 525.2012 4.32 8 120.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.78 4.84 2.48 2.47 5 39 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL2032029. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JQKLADMYWZPROY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032029



BindingDB 50383198
IBM Patent System 1B35A5EDD387DD89EFB960E67CA899BC
PubChem 11962976
PubChem: Thomson Pharma 17421525
SureChEMBL SCHEMBL198117

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