COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841191
Chemical Name: 3-{[4-(diphenylmethoxy)but-2-yn-1-yl](dimethyl)ammonio}propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[N+](CC#CCOC(c1ccccc1)c1ccccc1)(C)C

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Molecular Weight: 401.53
Empirical Formula: C22H27NO4S

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: -0.806
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 74
Number of rings: 2

     

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