COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563655
Chemical Name: (5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-3-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(/C(=C/NCc2ccc3c(c2)OCO3)/C1=O)O

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Molecular Weight: 411.39
Empirical Formula: C21H18FN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.455
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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