COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411144
Chemical Name: 7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-4-(2,3,4-trifluorophenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(c(c1F)F)F)C1CCOCC1

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Molecular Weight: 399.39
Empirical Formula: C17H16F3N3O3S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 2.04
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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