COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552890
Chemical Name: (1R,9aR)-1-({[(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizinium
Smiles: COc1c(cccc1OC)/C=C/C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

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Saltdata: I-
Molecular Weight: 374.5
Empirical Formula: C22H32NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.154
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 3

     

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