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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL283117
CHEMBL283117
Compound Name ASPERLICIN
ChEMBL Synonyms Asperlicin
Max Phase 0
Trade Names
Molecular Formula C31H29N5O4

Additional synonyms for CHEMBL283117 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@@H]1N[C@H]2N(C1=O)c3ccccc3[C@@]2(O)C[C@@H]4NC(=O)c5 ...
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Standard InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(2 ...
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Standard InChI Key MGMRIOLWEROPJY-FPACPZPDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL283117

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
535.6 535.222 2.98 4 114.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.65 5.3 4.67 4.67 3 40 0.47

Structural Alerts

There are no structural alerts for CHEMBL283117

Compound Cross References

ChemSpider ChemSpider:MGMRIOLWEROPJY-FPACPZPDSA-N
Wikipedia Asperlicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL283117



ACToR 93413-04-8
BindingDB 50019777
FDA SRS U0MJE9LRXV
IBM Patent System 5EC99B63A5421CEFC3BA2AF728572F89
Nikkaji J41.423I
PubChem 3035433
PubChem: Thomson Pharma 14962669
SureChEMBL SCHEMBL1004269
ZINC ZINC000028240437

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