COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042905
Chemical Name: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)c2cccc(c2)[N+](=O)[O-])/s1

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Molecular Weight: 400.42
Empirical Formula: C18H16N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.52
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 3

     

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