COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK965354
Chemical Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-{[(2-oxoazepan-1-yl)methyl]sulfanyl}-1,3-benzothiazol-3-ium
Smiles: Clc1ccc(cc1)C(=O)C[n+]1c(SCN2CCCCCC2=O)sc2c1cccc2

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Saltdata: Br-
Molecular Weight: 446.01
Empirical Formula: C22H22ClN2O2S2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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