COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148013
Chemical Name: 1-{7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 485.59
Empirical Formula: C21H23N7O3S2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.028
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 183
Number of rings: 5

     

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