COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036812
Chemical Name: 3-benzyl-1-(2-{6-[(E)-(1-hexyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Smiles: CCCCCCN1C(=NC(=O)/C(=C\c2c(CCN(C(=S)NCc3ccccc3)C)cc3c(c2OC)OCO3)/C1=O)O

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Molecular Weight: 580.71
Empirical Formula: C30H36N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.51
Rotatable bonds: 12
H-donors: 2
H-acceptors: 6
PSA: 145
Number of rings: 4

     

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