COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040542
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-hydroxyphenolate
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)O)[O-])/C2=[NH2+])s1

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Molecular Weight: 438.46
Empirical Formula: C21H18N4O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.37
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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