COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049559
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-ethoxyphenolate
Smiles: CCOc1cc(ccc1[O-])/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)CCC1CCCCC1

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Molecular Weight: 426.54
Empirical Formula: C22H26N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.726
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 4

     

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