COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564205
Chemical Name: 1-cyclohexyl-7-hydroxy-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCC1)O

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Molecular Weight: 401.53
Empirical Formula: C21H27N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.903
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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