COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207346
Chemical Name: 8-{4-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)CSc1nc2c(o1)cccc2

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Molecular Weight: 455.5
Empirical Formula: C20H21N7O4S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 1.81
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 144
Number of rings: 5

     

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