COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047913
Chemical Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
Smiles: [O-][N+](=O)c1ccc2c(c1)sc(n2)NCC(CNc1ccc(c2c1nccc2)[N+](=O)[O-])(C)C

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Molecular Weight: 452.49
Empirical Formula: C21H20N6O4S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 5.857
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 169
Number of rings: 4

     

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