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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL305645
CHEMBL305645
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H44BrF7N10O12P2

Additional synonyms for CHEMBL305645 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.N.N.N.NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)NC(=O)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C34H32BrF7N6O12P2.4H3N/c35-22-14-18(13-21(15-22)31( ...
Download InChI
Standard InChI Key YFMBXUSVDCZJTJ-FSPKASDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL305645

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
991.5 990.0625 3.99 19 307.47 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 9 2 18 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.07 - 3.71 -3.99 3 62 0.06

Structural Alerts

There are 12 structural alerts for CHEMBL305645. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YFMBXUSVDCZJTJ-FSPKASDCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL305645



PubChem 49796315

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