COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046795
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)n(c(=O)n2C)C

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Molecular Weight: 568.12
Empirical Formula: C26H26ClN7O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.205
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 131
Number of rings: 6

     

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