COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030554
Chemical Name: (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC

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Molecular Weight: 454.94
Empirical Formula: C22H19ClN4O3S

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 3.453
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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