COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL493544
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-fluorophenyl)-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)C1CCOC(C1)(C)C)c1ccc(cc1)F

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Molecular Weight: 391.47
Empirical Formula: C19H22FN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.571
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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