COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870272
Chemical Name: 3-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrido[1,2,3-de]quinoxalin-4-ium
Smiles: ICC1CN(c2c3[n+]1cccc3ccc2)S(=O)(=O)c1ccc(cc1)C

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Saltdata: I3-
Molecular Weight: 465.33
Empirical Formula: C19H18IN2O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 49
Number of rings: 4

     

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