COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870309
Chemical Name: 2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethanaminium
Smiles: COCc1cc(C)nc(c1C#N)SCC[N+](CC(=O)c1ccc(cc1)Br)(C)C

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Saltdata: Br-
Molecular Weight: 463.42
Empirical Formula: C21H25BrN3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.599
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 2

     

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