COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK849744
Chemical Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 466.59
Empirical Formula: C18H26N8O3S2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 0.96
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 164
Number of rings: 4

     

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