COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692813
Chemical Name: 4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc(c(c1)OC)O)C

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Molecular Weight: 468.56
Empirical Formula: C22H20N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.959
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 152
Number of rings: 5

     

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