COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038788
Chemical Name: 3-benzyl-1-[2-(6-{(E)-[1-(4-chlorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
Smiles: COc1c(/C=C/2\C(=O)N=C(N(C2=O)c2ccc(cc2)Cl)O)c(CCN(C(=S)NCc2ccccc2)C)cc2c1OCO2

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Molecular Weight: 607.09
Empirical Formula: C30H27ClN4O6S

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 5.201
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 145
Number of rings: 5

     

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