COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053285
Chemical Name: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(4-benzylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(s1)cccc2)N1CCN(CC1)Cc1ccccc1)O

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Molecular Weight: 547.71
Empirical Formula: C27H29N7O2S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.634
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 143
Number of rings: 6

     

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