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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151447
CHEMBL151447
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H20N4O7

Additional synonyms for CHEMBL151447 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\C(=C/1\C(C(=C(C)N=C1C)C(=O)OC)c2cccc(OCc3no[n+]([O-])c3C# ...
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Standard InChI InChI=1S/C21H20N4O7/c1-11-17(20(26)29-3)19(18(12(2)23-11)21( ...
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Standard InChI Key VTWGULVUKFAIBE-LVZFUZTISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151447

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
440.4 440.1332 2.18 6 154.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 0 11 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.85 3.94 2.12 2.08 2 32 0.4

Structural Alerts

There are 6 structural alerts for CHEMBL151447. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VTWGULVUKFAIBE-LVZFUZTISA-N
Wikipedia Homochlorcyclizine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151447




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