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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149324
CHEMBL149324
Compound Name
ChEMBL Synonyms 4-Guanidino-Benzoic Acid Phenyl Ester
Max Phase 0
Trade Names
Molecular Formula C14H13N3O2

Additional synonyms for CHEMBL149324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc2ccccc2
Standard InChI InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-1 ...
Download InChI
Standard InChI Key PXPIXLVXGYQMFM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL149324

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
255.3 255.1008 2.23 5 88.2 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10 2.17 .27 2 19 0.33

Structural Alerts

There are 7 structural alerts for CHEMBL149324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXPIXLVXGYQMFM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149324



ACToR 35695-21-7
BindingDB 50405352
EPA CompTox Dashboard DTXSID60189209
IBM Patent System F023D6D717D2E0AE2BDC1B361D0055B7
PubChem 3015798
SureChEMBL SCHEMBL4104661 SCHEMBL20008706
ZINC ZINC000027560983

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