COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368380
Chemical Name: methyl2-{[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 405.8
Empirical Formula: C17H16ClN5O5

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 2.889
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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