COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109820
Chemical Name: (6E)-6-(4-hydroxy-3-methoxybenzylidene)-5-imino-2-[(2-phenoxyethyl)sulfanyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1O)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)SCCOc1ccccc1

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Molecular Weight: 454.53
Empirical Formula: C21H18N4O4S2

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 3.022
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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