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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3298987
CHEMBL3298987
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H38N4O4

Additional synonyms for CHEMBL3298987 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)C=Cc34)cc ...
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Standard InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24 ...
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Standard InChI Key HJLOLWXGFOKVSM-HKBQPEDESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3298987

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
578.7 578.2893 5.63 12 132.63 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 3 8 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.68 9.58 3.76 .24 5 43 0.11

Structural Alerts

There are 4 structural alerts for CHEMBL3298987. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HJLOLWXGFOKVSM-HKBQPEDESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3298987



BindingDB 50021888
PubChem 90645347
ZINC ZINC000169326260

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