COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054462
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-(1H-indol-3-ylmethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc2c(c1)OCO2

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Molecular Weight: 375.34
Empirical Formula: C20H13N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.449
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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