COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692840
Chemical Name: 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1cc(ccc1O)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cc(cc2)C

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Molecular Weight: 452.56
Empirical Formula: C22H20N4O3S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.503
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 142
Number of rings: 5

     

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