COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553498
Chemical Name: (4alpha,19E)-12-hydroxy-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,16-didehydrocur-19-en-4-ium-17-al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)Cc1onc(n1)c1ccccc1

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Saltdata: Cl-
Molecular Weight: 467.55
Empirical Formula: C28H27N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.425
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 7

     

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