COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870305
Chemical Name: 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N,N-dimethyl-N-(4-nitrobenzyl)ethanaminium
Smiles: COCc1cc(C)nc(c1C#N)SCC[N+](Cc1ccc(cc1)[N+](=O)[O-])(C)C

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Saltdata: Br-
Molecular Weight: 401.51
Empirical Formula: C20H25N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.01
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 117
Number of rings: 2

     

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