COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692823
Chemical Name: 4-(3,4-dimethoxyphenyl)-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(ccc1OC)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cc(cc2)C

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Molecular Weight: 466.58
Empirical Formula: C23H22N4O3S2

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.272
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 5

     

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