COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692815
Chemical Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc(cc1)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cc(cc2)OC

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Molecular Weight: 452.56
Empirical Formula: C22H20N4O3S2

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 4.905
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 5

     

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