COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023104
Chemical Name: (6E)-2-butyl-5-imino-6-(3-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)OCCOc3ccc(cc3OC)CC=C)/C2=N)s1

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Molecular Weight: 548.66
Empirical Formula: C29H32N4O5S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 4.781
Rotatable bonds: 13
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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