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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032017
CHEMBL2032017
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H23N7O4

Additional synonyms for CHEMBL2032017 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(N(C)N(C4=O)c5ccccc5)c6cnccn6)nc3 ...
Download SMILES
Standard InChI InChI=1S/C30H23N7O4/c1-36-28(24-18-31-14-15-33-24)27(30(39)3 ...
Download InChI
Standard InChI Key DMUUMPYJFUHKCR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032017

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
545.6 545.1812 4.63 7 126.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.11 4.84 4.12 4.11 6 41 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL2032017. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMUUMPYJFUHKCR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032017



BindingDB 50383207
IBM Patent System 85FD35E2122504F3566136808D467348 F7238CF72959F6ED2BEF02AB14F26176
PubChem 11963425
PubChem: Thomson Pharma 17421988
SureChEMBL SCHEMBL198072
ZINC ZINC000084759327

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