COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852351
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)n(c(=O)n2C)C

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Molecular Weight: 485.57
Empirical Formula: C22H27N7O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.426
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 136
Number of rings: 5

     

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