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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145134
CHEMBL145134
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32F3N5O5

Additional synonyms for CHEMBL145134 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c3ccccc3F)C(=O)N1)c4ccc( ...
Download SMILES
Standard InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-8-9-22 ...
Download InChI
Standard InChI Key GDBMQKGUAQWBLZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145134

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
599.6 599.2356 3.9 9 124 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.89 6.96 4.84 4.75 2 43 0.33

Structural Alerts

There are 3 structural alerts for CHEMBL145134. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GDBMQKGUAQWBLZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145134



BindingDB 50082806
Nikkaji J1.206.267B
PubChem 10746137
PubChem: Thomson Pharma 15782446

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