COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005256
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)[nH]c(=O)n2C

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Molecular Weight: 549.68
Empirical Formula: C26H27N7O3S2

Available Amount: 0 mg

Lipinsky:
logP: 3.345
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 149
Number of rings: 6

     

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