COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL494703
Chemical Name: 4-(3-methylthiophen-2-yl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Smiles: O=C1CSC(c2c(N1)n([nH]c2=O)C(C)C)c1sccc1C

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Molecular Weight: 323.44
Empirical Formula: C14H17N3O2S2

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 3.342
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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