COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553479
Chemical Name: (4alpha,19E)-4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-12-hydroxy-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)CC(=O)c1ccc(c(c1)OC)OC

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Saltdata: Br-
Molecular Weight: 487.58
Empirical Formula: C29H31N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.158
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 6

     

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