COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001533
Chemical Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
Smiles: [O-][N+](=O)c1cc(ccc1NCCCNc1nc2c(s1)cc(cc2)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 441.39
Empirical Formula: C17H14F3N5O4S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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