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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1088320
CHEMBL1088320
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28F3N5O2

Additional synonyms for CHEMBL1088320 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccccc1CNC(=O)c2cc(nn2c3cccc(CNCCNC)c3)C(F)(F)F
Standard InChI InChI=1S/C24H28F3N5O2/c1-3-34-21-10-5-4-8-18(21)16-30-23(33) ...
Download InChI
Standard InChI Key ZQGAVMQZGYDXTI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1088320

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
475.5 475.2195 3.53 11 80.21 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.29 10.08 2.82 .36 3 34 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL1088320. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZQGAVMQZGYDXTI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1088320



BindingDB 50311698
IBM Patent System CBDE234E8AFF95233FC34B5F9488FC25
PubChem 46880044
SureChEMBL SCHEMBL5070369
ZINC ZINC000049111997

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