COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380627
Chemical Name: 3-{5-methyl-2-[(1E)-2-{(Z)-[5-phenyl-3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)C)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cc(cc2)c1ccccc1

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Saltdata: (C4H9)3N
Molecular Weight: 670.9
Empirical Formula: C32H34N2O6S4

Physical State: Dry powder
Available Amount: 822 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 188
Number of rings: 5

     

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