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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2043325
CHEMBL2043325
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H32N6O5

Additional synonyms for CHEMBL2043325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ncn1)N2C(=O)N(C(=O)C23CCN(Cc4ncccc4C)CC3)c5ccc(cc5)c6 ...
Download SMILES
Standard InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13- ...
Download InChI
Standard InChI Key KAPZNJYOKZDXPF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2043325

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
592.7 592.2434 4.87 7 129.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.29 6.93 5.38 2.64 4 44 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL2043325. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KAPZNJYOKZDXPF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2043325



BindingDB 50385819
PubChem 49848897
PubChem: Thomson Pharma 104177183
SureChEMBL SCHEMBL2119915
ZINC ZINC000084705800

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