COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK190202
Chemical Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2Br)/C1=O

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Molecular Weight: 465.71
Empirical Formula: C18H10BrClN2O4S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 4.877
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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