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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL120903
CHEMBL120903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H25FN2O2

Additional synonyms for CHEMBL120903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CC3CC(=O)c4c(C3)[nH]c5ccccc45)CC2
Standard InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(1 ...
Download InChI
Standard InChI Key OZMFVKDFRHXPOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL120903

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
404.5 404.19 4.65 4 53.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.12 3.06 2.27 3 30 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL120903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZMFVKDFRHXPOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL120903



BindingDB 50403684
IBM Patent System 365B00AADA905700A664FBDF379D4D4B
Nikkaji J1.312.361F
PubChem 10069784
PubChem: Thomson Pharma 15055103
SureChEMBL SCHEMBL13904320

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