COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581457
Chemical Name: 4-{(6E)-6-[4-(dimethylamino)benzylidene]-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
Smiles: [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C2=[NH2+])s1

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Molecular Weight: 391.45
Empirical Formula: C20H17N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.366
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 122
Number of rings: 4

     

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