COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553317
Chemical Name: (1R)-1-[({(2E)-3-(3,4-dimethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}oxy)methyl]-5-methyloctahydro-2H-quinolizinium
Smiles: COc1cc(ccc1OC)/C=C(\C(=O)OC[C@@H]1CCC[N+]2(C1CCCC2)C)/NC(=O)c1ccccc1

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Saltdata: I-
Molecular Weight: 493.62
Empirical Formula: C29H37N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.048
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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