aza-THIP   

GtoPdb Ligand ID: 4143

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 60.94
Molecular weight 139.07
XLogP 0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1n[nH]c2c1CCNC2
Isomeric SMILES Oc1n[nH]c2c1CCNC2
InChI InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)
InChI Key UPMMUUFLHUEUKP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
Database Links
GtoPdb PubChem SID 178100965
PubChem CID 55285412
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Search UniChem for chemical match using the InChIKey UPMMUUFLHUEUKP-UHFFFAOYSA-N
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