COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408842
Chemical Name: 4-(7-chloro-1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C1CCOC(C1)(C)C

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Molecular Weight: 451.93
Empirical Formula: C20H22ClN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.48
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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