COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326063
Chemical Name: 3-(2-hydroxyethyl)-2-{(1Z,3Z)-3-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-1,3-benzothiazol-3-ium
Smiles: OCCn1/c(=C/C(=C\c2sc3c([n+]2CCO)cccc3)/C)/sc2c1cccc2

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Saltdata: Cl-
Molecular Weight: 411.57
Empirical Formula: C22H23N2O2S2

Physical State: Dry powder
Available Amount: 1546 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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