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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1628597
CHEMBL1628597
Compound Name
ChEMBL Synonyms [3H]5-HT
Max Phase 0
Trade Names
Molecular Formula C10H10N2OT2

Additional synonyms for CHEMBL1628597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [3H]C(N)C([3H])c1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2, ...
Download InChI
Standard InChI Key QZAYGJVTTNCVMB-PZFLKRBQSA-N

Structural Alerts

There are no structural alerts for CHEMBL1628597

Alternate Forms of Compound in ChEMBL


CHEMBL1628597

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
176.2 176.095 1.31 2 62.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.09 9.52 .55 -1.74 2 13 0.65

Compound Cross References

ChemSpider ChemSpider:QZAYGJVTTNCVMB-PZFLKRBQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1628597



Guide to Pharmacology 3248
PubChem 53317992

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