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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL373533
CHEMBL373533
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H38F2IN3O3

Additional synonyms for CHEMBL373533 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H ...
Download SMILES
Standard InChI InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11- ...
Download InChI
Standard InChI Key FSQSHDXWJKXBPP-XZWHSSHBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL373533

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
677.6 677.1926 5.63 14 81.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 2 6 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.8 8.19 6.41 5.61 3 41 0.19

Structural Alerts

There are 5 structural alerts for CHEMBL373533. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSQSHDXWJKXBPP-XZWHSSHBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373533



BindingDB 15797
Brenda 82180
IBM Patent System 3BE0187577E374B3ED4B5F44A98CB86F
Nikkaji J3.023.137F
PDBe F2I
PubChem 11628951
PubChem: Thomson Pharma 16731908
SureChEMBL SCHEMBL3348071
ZINC ZINC000024904840

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