COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK842593
Chemical Name: 4-(1,3-benzothiazol-2-yl)butyl3,5-dinitrobenzoate
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OCCCCc1nc2c(s1)cccc2

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Molecular Weight: 401.4
Empirical Formula: C18H15N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.395
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 159
Number of rings: 3

     

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