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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2177303
CHEMBL2177303
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H24F2N4O

Additional synonyms for CHEMBL2177303 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C=C(C=C(C)C1=O)[C@@]2(N=C(N)c3c(F)cc(F)cc23)c4cccc(c4)c5 ...
Download SMILES
Standard InChI InChI=1S/C30H24F2N4O/c1-4-7-19-11-21(16-34-15-19)20-8-6-9-22 ...
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Standard InChI Key MAXMBSSGZYMDKT-PMERELPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2177303

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
494.5 494.1918 4.56 5 71.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.44 3.56 3.56 3 37 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL2177303. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MAXMBSSGZYMDKT-PMERELPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2177303



BindingDB 50398268
PubChem 71453617
PubChem: Thomson Pharma 163472575
ZINC ZINC000095579912

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