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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL496862
CHEMBL496862
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H34N4O2

Additional synonyms for CHEMBL496862 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(CN4CCCCC4)cc3)/c5ccccc5)\C(=O ...
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Standard InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33- ...
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Standard InChI Key MUSRTIADFPCYTQ-ZIADKAODSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL496862

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
494.6 494.2682 5.7 7 64.68 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 9.24 3.75 1.95 3 37 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL496862. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MUSRTIADFPCYTQ-ZIADKAODSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL496862



PDBe ZOP
PubChem 23507055
PubChem: Thomson Pharma 85185732
SureChEMBL SCHEMBL3151537
ZINC ZINC000101234826

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