COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333306
Chemical Name: 2-[3-(6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-1H-isothiochromen-8-yl)phenoxy]acetamide
Smiles: N#CC1=C(N)C(C(C2C1=CCSC2)c1cccc(c1)OCC(=O)N)(C#N)C#N

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Molecular Weight: 391.45
Empirical Formula: C20H17N5O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.534
Rotatable bonds: 4
H-donors: 4
H-acceptors: 2
PSA: 175
Number of rings: 3

     

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