COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552921
Chemical Name: 5-[2-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C)(C)C(CC3(C)C)C)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 492.68
Empirical Formula: C31H42NO4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.341
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 5

     

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