COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407827
Chemical Name: 4-(7-chloro-1,3-benzodioxol-5-yl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-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)C1CCSCC1

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Molecular Weight: 439.94
Empirical Formula: C18H18ClN3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.375
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 5

     

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