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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386310
CHEMBL386310
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H34F2N8O4

Additional synonyms for CHEMBL386310 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN5CCN( ...
Download SMILES
Standard InChI InChI=1S/C29H34F2N8O4/c1-42-24-16-20-23(17-25(24)43-13-3-6-3 ...
Download InChI
Standard InChI Key LQQZIJDSGYXEEJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL386310

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
596.6 596.2671 2.94 13 140.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.86 7.17 1.18 .97 4 43 0.17

Structural Alerts

There are 1 structural alerts for CHEMBL386310. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQQZIJDSGYXEEJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL386310



BindingDB 26286
IBM Patent System BA4D69734C32E241453DA46069AF3649
PubChem 10153234
PubChem: Thomson Pharma 15145342
SureChEMBL SCHEMBL4286999
ZINC ZINC000034802978

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