COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553510
Chemical Name: (4alpha,19E)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-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(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc(cc1)OC

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Saltdata: Cl-
Molecular Weight: 441.55
Empirical Formula: C28H29N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.123
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 6

     

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