COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723370
Chemical Name: 1-(3,3-dimethyl-2-oxobutyl)-4-(2-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]sulfanyl}ethyl)pyridinium
Smiles: O=C(C(C)(C)C)C[n+]1ccc(cc1)CCSc1ccc(cc1)C12CC3CC(C2)CC(C1)C3

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Saltdata: Br-
Molecular Weight: 448.69
Empirical Formula: C29H38NOS

Physical State: Dry powder
Available Amount: 277 mg

Lipinsky:
logP: 3.327
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 46
Number of rings: 6

     

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