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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1719784
CHEMBL1719784
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H26F3N3O9S

Additional synonyms for CHEMBL1719784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(=C(N=C3N1S( ...
Download SMILES
Standard InChI InChI=1S/C28H26F3N3O9S/c1-33-18-11-8-15(40-2)12-17(18)27-13- ...
Download InChI
Standard InChI Key NHFGPGKTVSREKM-JNMBUGSCSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1719784

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
637.6 637.1342 2.42 6 141.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 0 2 12 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.27 3.12 3.12 2 44 0.34

Structural Alerts

There are 5 structural alerts for CHEMBL1719784. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NHFGPGKTVSREKM-JNMBUGSCSA-N
PubChem SID: 26756171

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1719784



PubChem 16759844
ZINC ZINC000072127656

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