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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1784637
CHEMBL1784637
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33F3N6O3

Additional synonyms for CHEMBL1784637 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(c3)C ...
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Standard InChI InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27( ...
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Standard InChI Key SUXYGJZMCWKJJI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1784637

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
582.6 582.2566 2.87 7 102.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.01 6.77 3.89 3.78 3 42 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL1784637. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUXYGJZMCWKJJI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1784637



BindingDB 50345579
Guide to Pharmacology 8170
PubChem 46864270
PubChem: Thomson Pharma 99303210
ZINC ZINC000071294545

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