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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL346296
CHEMBL346296
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H38FN5O4

Additional synonyms for CHEMBL346296 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](NC(=O)C1CCCCC1)C(=O)N2CCN(CCCOc3ccc(c(F)c3)c4noc(n4) ...
Download SMILES
Standard InChI InChI=1S/C31H38FN5O4/c1-22(33-29(38)23-9-4-2-5-10-23)31(39)3 ...
Download InChI
Standard InChI Key CBNRXBOSORWJKD-JOCHJYFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL346296

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
563.7 563.2908 4.54 10 100.8 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.77 3.59 3.57 3 41 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL346296. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CBNRXBOSORWJKD-JOCHJYFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL346296



BindingDB 50139349
PubChem 44374063
ZINC ZINC000027734963

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