COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396421
Chemical Name: 3-(2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Smiles: CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/C=c/1\sc2c(n1CC)cc(cc2)OC

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Molecular Weight: 566.77
Empirical Formula: C29H30N2O4S3

Physical State: Dry powder
Available Amount: 630 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 135
Number of rings: 5

     

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