COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045236
Chemical Name: 1-(2-{6-[(Z)-(2-hydroxy-1-methyl-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
Smiles: CNC(=S)N(CCc1cc2OCOc2c(c1/C=C\1/C(=O)N=C(N(C1=O)C)O)OC)C

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Molecular Weight: 434.47
Empirical Formula: C19H22N4O6S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 0.921
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 145
Number of rings: 3

     

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