COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207311
Chemical Name: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethylbenzoate
Smiles: O=C(c1ccccc1)OCCN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 412.45
Empirical Formula: C20H24N6O4

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 1.914
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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