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Chemical structure of DAO-IN-1

GC76893

DAO-IN-1

Also known as 6H-thieno[2,3-b]pyrrole-5-carboxylic acid

DAO-IN-1 is a potent inhibitor of D-amino acid oxidase (DAO) with an IC50 value of 269 nM

ChemicalCAS51856-25-8MW167.19FormulaC7H5NO2S
CAS number
51856-25-8
Molecular weight
167.19
Formula
C7H5NO2S
Solubility
DMSO： 100 mg/mL (598·13 mM; Need ultrasonic)
InChIKey
SEPXFZLYPWFMSY-UHFFFAOYSA-N
Catalogue number
GC76893
Brand
GLPBIO
Computed properties PubChem CID 11622394 · XLogP 1.9 · TPSA 81.3 Ų · H-bond donors 2
XLogP
1.9
TPSA
81.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

SMILES C1=CSC2=C1C=C(N2)C(=O)O

Computed descriptors from PubChem (CID 11622394), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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