COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408114
Chemical Name: 4-(3-chloro-4-hydroxyphenyl)-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)O)c(=O)[nH]n2C1CCOCC1

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Molecular Weight: 395.87
Empirical Formula: C17H18ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.847
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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