COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL493070
Chemical Name: 4-(6-chloro-4H-1,3-benzodioxin-8-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)c1cc(Cl)cc2c1OCOC2

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Molecular Weight: 395.87
Empirical Formula: C17H18ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.004
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 105
Number of rings: 4

     

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