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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142929
CHEMBL142929
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33F2N5O5

Additional synonyms for CHEMBL142929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c3ccccc3)C(=O)N1)c4ccc(F ...
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Standard InChI InChI=1S/C30H33F2N5O5/c1-41-18-24-25(27(38)42-2)26(20-9-10-2 ...
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Standard InChI Key JXDBPRQKWGFDFQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142929

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
581.6 581.245 2.98 10 124 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.89 7.18 4.7 4.55 2 42 0.33

Structural Alerts

There are 3 structural alerts for CHEMBL142929. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JXDBPRQKWGFDFQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142929



BindingDB 50082810
Nikkaji J1.206.266D
PubChem 10627090
PubChem: Thomson Pharma 15657501

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