COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438241
Chemical Name: N-{5-[(E)-1-cyano-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Smiles: N#C/C(=C\c1cc(ccc1O)[N+](=O)[O-])/c1nnc(s1)NC(=O)c1ccccc1

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Molecular Weight: 393.38
Empirical Formula: C18H11N5O4S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.203
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 172
Number of rings: 3

     

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