COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011564
Chemical Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-bromo-5-nitrobenzamide
Smiles: Cc1c(cccc1c1nc2c(s1)cccc2)NC(=O)c1cc(ccc1Br)[N+](=O)[O-]

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Molecular Weight: 468.33
Empirical Formula: C21H14BrN3O3S

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 5.563
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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