COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225017
Chemical Name: (6E)-2-(2-cyclohexylethyl)-6-[4-(dimethylamino)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(cc1)N(C)C)CCC1CCCCC1

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Molecular Weight: 409.56
Empirical Formula: C22H27N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.473
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 97
Number of rings: 4

     

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