COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514188
Chemical Name: 1-(2-{6-[(E)-(1-butyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1,3-dimethylthiourea
Smiles: CCCCN1C(=NC(=O)/C(=C\c2c(CCN(C(=S)NC)C)cc3c(c2OC)OCO3)/C1=O)O

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Molecular Weight: 476.55
Empirical Formula: C22H28N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.515
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 145
Number of rings: 3

     

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