COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK601650
Chemical Name: 3-hydroxy-4-(3-nitrophenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 348.38
Empirical Formula: C15H16N4O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 3.003
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 138
Number of rings: 3

     

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