COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372534
Chemical Name: (5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2c[nH]c3c2cc(Br)cc3)/C1=O

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Molecular Weight: 454.35
Empirical Formula: C21H16BrN3O2S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 4.958
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 97
Number of rings: 4

     

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