COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569710
Chemical Name: 4-{(Z)-[2-(2-cyclohexylethyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-hydroxyphenolate
Smiles: O=C1N=c2sc(nn2C(=[NH2+])/C/1=C/c1ccc(c(c1)O)[O-])CCC1CCCCC1

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Molecular Weight: 398.49
Empirical Formula: C20H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.978
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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