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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL563303
CHEMBL563303
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32FN3O2

Additional synonyms for CHEMBL563303 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2cc(CN3CC[C@H](C3)NC(=O)\C=C\C4CCN(CC4)C(=O)c5ccccc5)c ...
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Standard InChI InChI=1S/C30H32FN3O2/c31-27-10-9-25-18-23(6-8-26(25)19-27)20 ...
Download InChI
Standard InChI Key GSABPLXEDGVPNJ-IJMNMRELSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL563303

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
485.6 485.2479 4.35 6 52.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.32 4.95 4.09 3 36 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL563303. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GSABPLXEDGVPNJ-IJMNMRELSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL563303



BindingDB 50297191
PubChem 45273619
ZINC ZINC000043122228

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