COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448509
Chemical Name: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl4-chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)OCCN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 446.89
Empirical Formula: C20H23ClN6O4

Available Amount: 0 mg

Lipinsky:
logP: 2.479
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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