COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411047
Chemical Name: 4-(3-chloro-4-fluorophenyl)-7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)F)c(=O)[nH]n2C1CCOCC1

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Molecular Weight: 397.86
Empirical Formula: C17H17ClFN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.783
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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