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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1951790
CHEMBL1951790
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31F3N4O4

Additional synonyms for CHEMBL1951790 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cn1)[C@@]2(O)CC[C@@H](CC2)N3CC[C@H](C3)NC(=O)CNC(=O) ...
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Standard InChI InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21 ...
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Standard InChI Key NXZNYBUBXWWKCP-OTPAQWSUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1951790

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
520.5 520.2297 2.52 8 103.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.94 8.94 2.89 1.45 2 37 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL1951790. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXZNYBUBXWWKCP-OTPAQWSUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1951790



IBM Patent System E324322FFF1CE17F0517DD0C7E349E44
SureChEMBL SCHEMBL5058152
ZINC ZINC000100069762

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