COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK713084
Chemical Name: (5E)-1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=O

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Molecular Weight: 427.39
Empirical Formula: C19H13N3O7S

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 3.252
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 4

     

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