COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054998
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(diphenylmethyl)piperazin-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCN(CC1)C(c1ccccc1)c1ccccc1)O

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Molecular Weight: 609.78
Empirical Formula: C32H31N7O2S2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 4.909
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 143
Number of rings: 7

     

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