COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408223
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(3,4,5-trifluorophenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1cc(F)c(c(c1)F)F)c(=O)[nH]n2C1CCOC(C1)(C)C

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Molecular Weight: 427.45
Empirical Formula: C19H20F3N3O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.073
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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