COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044763
Chemical Name: 4-(4-butoxyphenyl)-1-cycloheptyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

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Molecular Weight: 429.58
Empirical Formula: C23H31N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.999
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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