COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560795
Chemical Name: 1-(butan-2-yl)-7-hydroxy-4-(2-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCOc1ccccc1C1SCC(=Nc2c1c(=O)[nH]n2C(CC)C)O

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Molecular Weight: 375.49
Empirical Formula: C19H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.254
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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