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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL27257
CHEMBL27257
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H23F2N5O2

Additional synonyms for CHEMBL27257 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N4CCN(CCc5ccc(F)c(F)c5)CC4
Standard InChI InChI=1S/C24H23F2N5O2/c1-33-24(32)16-3-5-20-17(13-16)21-22(2 ...
Download InChI
Standard InChI Key RCMQDUQWTWKKOT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL27257

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
451.5 451.182 4.8 6 74.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.73 4.97 4.88 4 33 0.43

Structural Alerts

There are 1 structural alerts for CHEMBL27257. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RCMQDUQWTWKKOT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL27257



BindingDB 50140866
IBM Patent System 44BC554E34411CDAAB7206F56F90AB3E
PubChem 11247947
PubChem: Thomson Pharma 16332647
SureChEMBL SCHEMBL6827154
ZINC ZINC000013559653

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