COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099650
Chemical Name: (6E)-2-ethyl-5-imino-6-(2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccccc1OCCOc1ccccc1/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC

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Saltdata: HCl
Molecular Weight: 460.56
Empirical Formula: C25H24N4O3S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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