COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006237
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 445.87
Empirical Formula: C19H20ClN7O4

Available Amount: 0 mg

Lipinsky:
logP: 4.085
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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