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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL368895
CHEMBL368895
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H29N5O2

Additional synonyms for CHEMBL368895 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c3cn(c4ccc5ccccc5c4)c6ccccc36)c ...
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Standard InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32 ...
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Standard InChI Key XYUYSDBKGVJSKN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL368895

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
539.6 539.2321 5.65 7 72.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 7 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.14 9.42 8.05 5.77 6 41 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL368895. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XYUYSDBKGVJSKN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL368895



BindingDB 50162996
IBM Patent System 6EAE1128B6904B557E5EE6EB1F897BF8
PubChem 10209082
PubChem: Thomson Pharma 15207207
SureChEMBL SCHEMBL3774124
ZINC ZINC000003962832

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