COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090289
Chemical Name: (19E)-4-butyl-12-hydroxy-2,16-didehydrocur-19-en-4-ium-17-al
Smiles: CCCC[N+]12CCC34[C@@H]2C[C@@H](/C(=C\C)/C1)C(=C3Nc1c4cccc1O)C=O

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Saltdata: CI-
Molecular Weight: 365.5
Empirical Formula: C23H29N2O2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: -1.644
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 49
Number of rings: 5

     

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