COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385672
Chemical Name: 2-[(4-{(Z)-[5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
Smiles: COc1cc(cc(c1OCc1ccccc1C#N)I)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

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Molecular Weight: 633.47
Empirical Formula: C28H20IN5O3S

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 4.901
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 5

     

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