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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292365
CHEMBL292365
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H35F2N5O5

Additional synonyms for CHEMBL292365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N3CCC(CC3)c4ccccc4C# ...
Download SMILES
Standard InChI InChI=1S/C32H35F2N5O5/c1-43-18-27-28(30(40)44-2)29(20-7-10-2 ...
Download InChI
Standard InChI Key JWAHBXONODWUEH-CTWZREHQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292365

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
607.7 607.2606 4.49 7 124 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.7 8.93 5.76 4.27 2 44 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL292365. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JWAHBXONODWUEH-CTWZREHQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292365



BindingDB 50091721
Nikkaji J1.383.649C
PubChem 44300107
ZINC ZINC000029560110

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