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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL312926
CHEMBL312926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H37N5O5

Additional synonyms for CHEMBL312926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5ccc ...
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Standard InChI InChI=1S/C33H37N5O5/c1-32(20-23-21-34-29-9-5-4-8-28(23)29,37 ...
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Standard InChI Key FAOPTHGFLLUMQK-YTTGMZPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL312926

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
583.7 583.2795 6.23 10 138.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 2 10 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 - 7.09 7.09 4 43 0.13

Structural Alerts

There are 7 structural alerts for CHEMBL312926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FAOPTHGFLLUMQK-YTTGMZPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL312926



BindingDB 50071743
PubChem 44321006
ZINC ZINC000026576885

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