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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1204009
CHEMBL1204009
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H35ClN2O4

Additional synonyms for CHEMBL1204009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C ...
Download SMILES
Standard InChI InChI=1S/C29H34N2O4.ClH/c1-4-34-28(33)14-11-21-10-13-27(25(1 ...
Download InChI
Standard InChI Key IFWPZKFWNGLFCD-UFTMZEDQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1204009

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
474.6 474.2519 4.88 13 91.58 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.76 8.99 5.73 4.04 3 35 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL1204009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IFWPZKFWNGLFCD-UFTMZEDQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1204009



PubChem 44541355
PubChem: Thomson Pharma 87222906

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