COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK611121
Chemical Name: 1-(butan-2-yl)-3-hydroxy-4-(4-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)[N+](=O)[O-])O)C

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Molecular Weight: 362.41
Empirical Formula: C16H18N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.534
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 138
Number of rings: 3

     

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