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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL106553
CHEMBL106553
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H38N2O2

Additional synonyms for CHEMBL106553 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CCC(C)(C)c2cc3c(cc12)c4c(CC3(C)C)c(cn4Cc5cccnc5)c6ccc( ...
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Standard InChI InChI=1S/C35H38N2O2/c1-33(2)13-14-34(3,4)30-17-28-25(16-29(3 ...
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Standard InChI Key YVLFYHDKVVFNAP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL106553

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
518.7 518.2933 8.15 4 55.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 4 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.27 4.17 7.92 5.08 4 39 0.3

Structural Alerts

There are no structural alerts for CHEMBL106553

Compound Cross References

ChemSpider ChemSpider:YVLFYHDKVVFNAP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL106553



PubChem 10459281
PubChem: Thomson Pharma 15481149
ZINC ZINC000013742714

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