COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309130
Chemical Name: 7-hydroxy-1-(propan-2-yl)-4-[4-(propan-2-yl)phenyl]-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)C(C)C)C(C)C

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Molecular Weight: 345.47
Empirical Formula: C18H23N3O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.083
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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