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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288817
CHEMBL288817
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H29N3O7

Additional synonyms for CHEMBL288817 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCc1ccc2c(c1)c3c4CNC(=O)c4c5c6cc(COC)ccc6n7[C@H]8C[C@](O)(C ...
Download SMILES
Standard InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20 ...
Download InChI
Standard InChI Key MDAFGVXLBFQEJH-OJXBSAKDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL288817

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
555.6 555.2006 3.95 5 113.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.91 - 4.84 4.84 5 41 0.32

Structural Alerts

There are 2 structural alerts for CHEMBL288817. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MDAFGVXLBFQEJH-OJXBSAKDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288817



PubChem 10626594
PubChem: Thomson Pharma 15657020
ZINC ZINC000029309189

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