COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153945
Chemical Name: 1-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)OCCO3)cnn2C(C)(C)C

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Molecular Weight: 359.45
Empirical Formula: C18H21N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.077
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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