COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL091223
Chemical Name: 1-methyl-4-(4-nitrophenyl)-6-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: C=CCN1CC2=C(C1=O)C(NC(=O)N2C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 328.33
Empirical Formula: C16H16N4O4

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 1.312
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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