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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL316085
CHEMBL316085
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H34ClN5O2

Additional synonyms for CHEMBL316085 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc3ccc(Cl)cc3)C(=O)NCC4(CCCC ...
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Standard InChI InChI=1S/C31H34ClN5O2/c1-30(19-22-20-34-26-10-4-3-9-25(22)26 ...
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Standard InChI Key AMIBSGKPRJXHLH-PMERELPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL316085

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
544.1 543.2401 6.36 8 98.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 2 7 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.96 5.65 7.38 7.37 4 39 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL316085. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AMIBSGKPRJXHLH-PMERELPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL316085



BindingDB 50071740
PubChem 44321084
ZINC ZINC000026577765

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