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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031893
CHEMBL2031893
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H25FN4O5

Additional synonyms for CHEMBL2031893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4=C(C)N(C)N(C4=O)c5ccccc5)cc3F)c2c ...
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Standard InChI InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9- ...
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Standard InChI Key SBLMCLDRWJNEJK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031893

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
528.5 528.1809 5.23 7 96.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.97 5.31 2.44 2.44 5 39 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL2031893. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SBLMCLDRWJNEJK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031893



BindingDB 50383191
PDBe 03X
PubChem 56604907
PubChem: Thomson Pharma 135678533
ZINC ZINC000071996259

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