COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287867
Chemical Name: 4-(2,5-dimethoxyphenyl)-3-methyl-1-(9H-purin-6-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc(cc1C1SCC(=O)Nc2c1c(C)nn2c1ncnc2c1nc[nH]2)OC

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Molecular Weight: 437.48
Empirical Formula: C20H19N7O3S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 3.277
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 145
Number of rings: 5

     

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