COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800912
Chemical Name: (5Z)-2-(3,4-dimethoxyphenyl)-5-[4-(dimethylamino)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: COc1ccc(cc1OC)c1nc2n(n1)c(=O)/c(=C/c1ccc(cc1)N(C)C)/s2

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Saltdata: 1/3CH3COOH
Molecular Weight: 408.48
Empirical Formula: C21H20N4O3S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 5.816
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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