COMPOUNDS FOR BIOLOGICAL SCREENING
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Vitas-M Lab ID: STL492848
Chemical Name: 4-(4-bromophenyl)-1-(octan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Smiles: CCCCCCC(n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(cc1)Br)C

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Molecular Weight: 452.42
Empirical Formula: C20H26BrN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.633
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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