COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153096
Chemical Name: 4-(1-tert-butyl-7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoicacid
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)cnn2C(C)(C)C

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Molecular Weight: 345.42
Empirical Formula: C17H19N3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.088
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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