COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367808
Chemical Name: [(5Z)-4-oxo-5-{(2E)-2-[3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-thioxo-1,3-thiazolidin-3-yl]acetate
Smiles: [O-]C(=O)CN1C(=S)S/C(=C\C=c/2\sc3c(n2CCCS(=O)(=O)[O-])cccc3)/C1=O

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Saltdata: 2Na+
Molecular Weight: 470.57
Empirical Formula: C17H14N2O6S4

Physical State: Dry powder
Available Amount: 1519 mg

Lipinsky:
logP: -1.381
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 211
Number of rings: 3

     

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