COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036714
Chemical Name: 1,4-bis{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-1,4-diazoniabicyclo[2.2.2]octane
Smiles: COc1ccc(cc1)NC(=O)C[N+]12CC[N+](CC1)(CC2)CC(=O)Nc1ccc(cc1)OC

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Saltdata: 2 Cl-
Molecular Weight: 440.54
Empirical Formula: C24H32N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.711
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 5

     

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