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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256863
CHEMBL1256863
Compound Name
ChEMBL Synonyms 5-Carboxamidotryptamine Maleate
Max Phase 0
Trade Names
Molecular Formula C15H17N3O5

Additional synonyms for CHEMBL1256863 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1c[nH]c2ccc(cc12)C(=O)N.OC(=O)\C=C/C(=O)O
Standard InChI InChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5 ...
Download InChI
Standard InChI Key PZQZSWAOVAMBQM-BTJKTKAUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256863

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
203.3 203.1059 0.77 3 84.9 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.49 .63 -1.54 2 15 0.69

Structural Alerts

There are no structural alerts for CHEMBL1256863

Compound Cross References

ChemSpider ChemSpider:PZQZSWAOVAMBQM-BTJKTKAUSA-N
PubChem SID: 50106115

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256863



FDA SRS 6PED53BA7M
MolPort MolPort-003-940-625
PubChem 11709509
PubChem: Thomson Pharma 16814325
SureChEMBL SCHEMBL11363734

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