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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142455
CHEMBL142455
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H45NO2

Additional synonyms for CHEMBL142455 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@H](CC[C@]12C ...
Download SMILES
Standard InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26 ...
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Standard InChI Key ZJQXNLOWFDLQBG-NBMRGHAKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142455

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
415.7 415.345 7.62 12 61.09 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.68 - 8.52 5.84 0 30 0.26

Structural Alerts

There are 5 structural alerts for CHEMBL142455. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJQXNLOWFDLQBG-NBMRGHAKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142455



BindingDB 50068031
Nikkaji J1.040.855E
PubChem 10621802
PubChem: Thomson Pharma 15652259
ZINC ZINC000003919772

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