COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552044
Chemical Name: 1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: C=CCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCCCC1

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Molecular Weight: 399.51
Empirical Formula: C21H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.174
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 101
Number of rings: 4

     

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