COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK153920
Chemical Name: (6Z)-6-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodobenzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1cc(C)ccc1C)I)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

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Molecular Weight: 680.57
Empirical Formula: C31H29IN4O4S

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 6.937
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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