COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763716
Chemical Name: 8-chloro-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 377.74
Empirical Formula: C15H12ClN5O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.549
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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