COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057840
Chemical Name: 3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1-[2-(trimethylammonio)ethyl]-1H-indolium
Smiles: COc1ccc(cc1)/C(=C(\C1=C[NH+](c2c1cccc2)CC[N+](C)(C)C)/CC)/c1ccc(cc1)OC

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Saltdata: 2 I-
Molecular Weight: 470.65
Empirical Formula: C31H38N2O2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 18
Number of rings: 4

     

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