COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191586
Chemical Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2Br)/C1=O

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Molecular Weight: 395.23
Empirical Formula: C15H11BrN2O4S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.396
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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