COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407501
Chemical Name: 4-(2,4-dichlorophenyl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)O

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Molecular Weight: 430.38
Empirical Formula: C17H17Cl2N3O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.158
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 115
Number of rings: 4

     

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