COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563917
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-methoxy-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cc(cc(c1[O-])OC)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)Cc1ccc(c(c1)OC)OC

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Molecular Weight: 492.56
Empirical Formula: C25H24N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.604
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 4

     

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