COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411152
Chemical Name: 7-hydroxy-4-(4-hydroxyphenyl)-1-(tetrahydro-2H-pyran-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)c1ccc(cc1)O)C1CCOCC1

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Molecular Weight: 361.42
Empirical Formula: C17H19N3O4S

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 1.291
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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