COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565188
Chemical Name: 4-{(Z)-[2-(3,4-dimethoxybenzyl)-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)Cc1ccc(c(c1)OC)OC

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Molecular Weight: 466.52
Empirical Formula: C23H22N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.118
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 4

     

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