COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325940
Chemical Name: 3-(2-{(1Z,3Z)-2-amino-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Smiles: N/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cccc2

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Saltdata: NH3
Molecular Weight: 567.73
Empirical Formula: C23H25N3O6S4

Physical State: Dry powder
Available Amount: 1897 mg

Lipinsky:
logP: 0
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 215
Number of rings: 4

     

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