COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578260
Chemical Name: (3E)-3-[4-(dimethylamino)benzylidene]-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: CN(c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)c1ccc(cc1s2)S(=O)(=O)C)C

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Molecular Weight: 426.52
Empirical Formula: C20H18N4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.268
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 4

     

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