COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053827
Chemical Name: 4-{(Z)-[2-(4-chlorobenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-hydroxyphenolate
Smiles: Clc1ccc(cc1)Cc1sc2=NC(=O)/C(=C\c3ccc(c(c3)O)[O-])/C(=[NH2+])n2n1

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Molecular Weight: 412.86
Empirical Formula: C19H13ClN4O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.228
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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