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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL180262
CHEMBL180262
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H24F3N3O2

Additional synonyms for CHEMBL180262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4cccc(C ...
Download SMILES
Standard InChI InChI=1S/C27H24F3N3O2/c1-16-8-6-11-19(25(16)30)24-17(2)32(14 ...
Download InChI
Standard InChI Key GYGHMJHBRABFSY-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL180262

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
479.5 479.1821 4.46 6 70.02 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 5.86 4.74 4 35 0.44

Structural Alerts

There are no structural alerts for CHEMBL180262

Compound Cross References

ChemSpider ChemSpider:GYGHMJHBRABFSY-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL180262



BindingDB 50162014
PubChem 11375759
PubChem: Thomson Pharma 16859643
ZINC ZINC000013609640

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