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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL86370
CHEMBL86370
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H35N5O4

Additional synonyms for CHEMBL86370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc3ccc(cc3)[N+](=O)[O-])C(=O ...
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Standard InChI InChI=1S/C32H35N5O4/c1-31(20-23-21-33-28-13-7-6-12-27(23)28, ...
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Standard InChI Key YIVURXAOLPNGNO-HKBQPEDESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL86370

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
553.7 553.2689 6.22 9 129.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 2 9 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 - 6.96 6.96 4 41 0.14

Structural Alerts

There are 7 structural alerts for CHEMBL86370. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YIVURXAOLPNGNO-HKBQPEDESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL86370



BindingDB 50071748
PubChem 44321211
ZINC ZINC000026577305

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