UNC9994   

GtoPdb Ligand ID: 7652

Compound class: Synthetic organic
Comment: UNC9994 is an analog of aripiprazole and is a β-arrestin–biased dopamine D2 receptor ligand [1]
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 53.6
Molecular weight 420.08
XLogP 5.55
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2
Isomeric SMILES Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2
InChI InChI=1S/C21H22Cl2N2OS/c22-18-4-1-3-17(21(18)23)15-7-10-25(11-8-15)9-2-12-26-16-5-6-20-19(13-16)24-14-27-20/h1,3-6,13-15H,2,7-12H2
InChI Key URYZTMIOHYGTNJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-{3-[4-(2,3-dichlorophenyl)piperidin-1-yl]propoxy}-1,3-benzothiazole
Database Links
ChEMBL Ligand CHEMBL2165138
GtoPdb PubChem SID 223365987
PubChem CID 56599142
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