COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552668
Chemical Name: (19E)-4-ethyl-2,16-didehydrocur-19-en-4-ium-17-al
Smiles: C/C=C\1/C[N+]2(CC)CCC34[C@@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O

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Saltdata: Br-
Molecular Weight: 321.44
Empirical Formula: C21H25N2O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.645
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 29
Number of rings: 5

     

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