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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL214601
CHEMBL214601
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30FN7O4

Additional synonyms for CHEMBL214601 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN(C)CCO
Standard InChI InChI=1S/C26H30FN7O4/c1-34(8-9-35)7-4-10-38-23-15-21-20(14-2 ...
Download InChI
Standard InChI Key RGCULYFIEIGHSJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL214601

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
523.6 523.2343 3.12 13 137.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.93 8.32 2.39 1.42 4 38 0.19

Structural Alerts

There are 2 structural alerts for CHEMBL214601. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGCULYFIEIGHSJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL214601



BindingDB 26291
IBM Patent System 87BBF17B69B1D983AB8186B4FF304823
PubChem 9958417
PubChem: Thomson Pharma 14934143 15319351
SureChEMBL SCHEMBL4289124
ZINC ZINC000034803052

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