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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388514
CHEMBL388514
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H38FN7O5

Additional synonyms for CHEMBL388514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(N(C(C)C2=Nc3ccccc3C(=O)N2N4CCN(CC4)C(=O)N5CCCC5)C(=O ...
Download SMILES
Standard InChI InChI=1S/C34H38FN7O5/c1-23(41(29-15-14-26(46-2)22-30(29)47-3 ...
Download InChI
Standard InChI Key LEUMQVNIJMAQGR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL388514

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
643.7 643.2918 4.82 7 112.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 12 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 2.04 3.92 3.92 4 47 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL388514. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEUMQVNIJMAQGR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388514



PubChem 44426134

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