COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819550
Chemical Name: (5Z)-2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: COc1ccc(cc1OC)c1nc2n(n1)c(=O)/c(=C/c1cc(OC)c(c(c1)OC)OC)/s2

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Saltdata: 1CH3COOH
Molecular Weight: 455.49
Empirical Formula: C22H21N3O6S

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 4.899
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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