COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056828
Chemical Name: 1-cyclohexyl-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: C=CCOc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCCCC1)O

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Molecular Weight: 397.54
Empirical Formula: C22H27N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.423
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 4

     

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