COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053623
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 554.1
Empirical Formula: C25H24ClN7O2S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.145
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 143
Number of rings: 6

     

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