COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225049
Chemical Name: (6E)-2-(2-cyclohexylethyl)-5-imino-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)nc(s3)CCC2CCCCC2)cc(c1OC)OC

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Molecular Weight: 456.57
Empirical Formula: C23H28N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.556
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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