COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381462
Chemical Name: 3-{2-[(1E)-2-{(E)-[1-(3-sulfopropyl)naphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}but-1-en-1-yl]thieno[3,2-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccsc1cc2)/C=c\1/sc2c(n1CCCS(=O)(=O)O)c1ccccc1cc2

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Saltdata: (C2H5)3N
Molecular Weight: 686.92
Empirical Formula: C31H30N2O6S5

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 217
Number of rings: 6

     

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