COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK691417
Chemical Name: ethyl6-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)N(C(=O)NC1c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 531.91
Empirical Formula: C22H22ClN7O7

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.104
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 162
Number of rings: 4

     

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