COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553518
Chemical Name: 4-{[(4alpha,19E)-17-oxo-2,16-didehydrocur-19-en-4-ium-4-yl]methyl}benzonitrile
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)Cc1ccc(cc1)C#N

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Saltdata: Cl-
Molecular Weight: 408.52
Empirical Formula: C27H26N3O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.912
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 52
Number of rings: 6

     

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