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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL88010
CHEMBL88010
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H41N5O2

Additional synonyms for CHEMBL88010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC4(CCCCC ...
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Standard InChI InChI=1S/C34H41N5O2/c1-24(2)25-14-16-27(17-15-25)38-32(41)39 ...
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Standard InChI Key WUKCFSLNDDXVRY-XIFFEERXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL88010

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
551.7 551.326 6.83 9 98.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 2 7 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.18 5.65 7.62 7.61 4 41 0.18

Structural Alerts

There are 2 structural alerts for CHEMBL88010. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WUKCFSLNDDXVRY-XIFFEERXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL88010



BindingDB 50071751
PubChem 44321157
ZINC ZINC000026576042

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