COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419064
Chemical Name: 2-[(2E)-2-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}hydrazinyl]-1,3-benzothiazole
Smiles: [O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)/C=N/Nc1nc2c(s1)cccc2)C(F)(F)F

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Molecular Weight: 458.42
Empirical Formula: C21H13F3N4O3S

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 6.238
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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