COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558091
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 547.71
Empirical Formula: C27H29N7O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.477
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 131
Number of rings: 6

     

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