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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032022
CHEMBL2032022
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H27N5O4

Additional synonyms for CHEMBL2032022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1N(C(=O)C(=C1C)C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c5ccc ...
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Standard InChI InChI=1S/C29H27N5O4/c1-4-16-33-19(2)27(29(36)34(33)20-8-6-5- ...
Download InChI
Standard InChI Key LUAWSFFQLRPDPM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032022

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
509.6 509.2063 5.35 8 100.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.78 4.84 3.75 3.75 5 38 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL2032022. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LUAWSFFQLRPDPM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032022



BindingDB 50383203
IBM Patent System D25E0EB8624C75408EFBB30F92C565BD
PubChem 59598370
SureChEMBL SCHEMBL197924
ZINC ZINC000084653006

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