COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL236088
Chemical Name: 4-(4-bromophenyl)-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)Br)O)C

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Molecular Weight: 396.31
Empirical Formula: C16H18BrN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.576
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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