COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559822
Chemical Name: 1-cycloheptyl-4-(2,4-dichlorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

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Molecular Weight: 426.37
Empirical Formula: C19H21Cl2N3O2S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.692
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 4

     

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