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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL433310
CHEMBL433310
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28N6O5

Additional synonyms for CHEMBL433310 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1c(Oc2ccc(cc2)c3ccccc3c4nn[nH]n4)nc5c(C(=O)O)c(OCCC)ccc ...
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Standard InChI InChI=1S/C29H28N6O5/c1-3-5-10-23-28(30-26-22(35(23)38)15-16- ...
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Standard InChI Key HWNWGLXMVIOQSQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL433310

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
540.6 540.2121 5.34 11 150.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 2 11 2 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.31 1.08 5.22 1.07 5 40 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL433310. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HWNWGLXMVIOQSQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL433310



PubChem 44314922
ZINC ZINC000026394086

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