COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580881
Chemical Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

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Molecular Weight: 499
Empirical Formula: C22H23ClN8O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.055
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 128
Number of rings: 5

     

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