COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491880
Chemical Name: 4-[3-(4-fluorophenyl)-1H-pyrazol-4-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)c1c[nH]nc1c1ccc(cc1)F

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Molecular Weight: 387.44
Empirical Formula: C18H18FN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.144
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 115
Number of rings: 4

     

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