COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059291
Chemical Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-4-(2-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]sulfanyl}ethyl)pyridinium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])C[n+]1ccc(cc1)CCSc1ccc(cc1)C12CC3CC(C2)CC(C1)C3

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Saltdata: Br-
Molecular Weight: 513.68
Empirical Formula: C31H33N2O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.566
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 92
Number of rings: 7

     

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