COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491140
Chemical Name: 1-cycloheptyl-4-(3-nitrophenyl)-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)C1CCCCCC1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 402.47
Empirical Formula: C19H22N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.679
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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