COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK368134
Chemical Name: 3-(2-hydroxyethyl)-2-[(1E)-2-{(Z)-[3-(2-hydroxyethyl)-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl]-5-methoxy-1,3-benzothiazol-3-ium
Smiles: OCC[n+]1c(/C=C(/C=c/2\sc3c(n2CCO)cc(cc3)OC)\CC)sc2c1cc(OC)cc2

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Saltdata: I-
Molecular Weight: 485.65
Empirical Formula: C25H29N2O4S2

Physical State: Dry powder
Available Amount: 533 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 2
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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