COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567419
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4-(4-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)[N+](=O)[O-])c(nn2C1CCOC(C1)(C)C)C

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Molecular Weight: 416.5
Empirical Formula: C20H24N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.567
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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