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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL603656
CHEMBL603656
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25FN6O3

Additional synonyms for CHEMBL603656 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(cc(n1)C(=O)NCc2ccc(F)cc2)c3nnn(C[C@@H]4CC[C@H](CC4)C(= ...
Download SMILES
Standard InChI InChI=1S/C23H25FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15- ...
Download InChI
Standard InChI Key KOTGODCEORJYIF-QAQDUYKDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL603656

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
452.5 452.1972 3 7 122.89 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 .59 3.48 .86 3 33 0.56

Structural Alerts

There are no structural alerts for CHEMBL603656

Compound Cross References

ChemSpider ChemSpider:KOTGODCEORJYIF-QAQDUYKDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL603656



BindingDB 50305842
SureChEMBL SCHEMBL3805441

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