COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514175
Chemical Name: 2-{(E)-2-[1-(2-hydroxyethyl)-3,3-dimethyl-3H-indolium-2-yl]ethenyl}-6-methoxyphenolate
Smiles: OCC[N+]1=C(/C=C/c2cccc(c2[O-])OC)C(c2c1cccc2)(C)C

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Molecular Weight: 337.42
Empirical Formula: C21H23NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 3

     

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