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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031907
CHEMBL2031907
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H30N6O4

Additional synonyms for CHEMBL2031907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(CN5CCCC5)N(C)N(C4=O)c6ccccc6)nc3 ...
Download SMILES
Standard InChI InChI=1S/C31H30N6O4/c1-35-26(20-36-16-6-7-17-36)29(31(39)37( ...
Download InChI
Standard InChI Key GODJFMYOWZKKJA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031907

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
550.6 550.2329 4.77 8 103.51 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.44 9.85 3.23 1.06 5 41 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL2031907. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GODJFMYOWZKKJA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031907



BindingDB 50383177
IBM Patent System 361C9FCED58F0DE54E4F75D7CFA8D75F
PubChem 11947782
PubChem: Thomson Pharma 17383888
SureChEMBL SCHEMBL198025
ZINC ZINC000084759484

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