COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL319180
Chemical Name: methyl4-(1-cyclohexyl-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCC1)O

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Molecular Weight: 401.49
Empirical Formula: C20H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.903
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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