COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553322
Chemical Name: (8xi,9xi,14xi,17xi)-3-hydroxy-21-(4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)pregn-5-en-20-one
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCC3[C@]1(C)CCC1C3CC=C3[C@]1(C)CCC(C3)O)[N+](CC2)(C)C

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Saltdata: Br-
Molecular Weight: 550.76
Empirical Formula: C34H48NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.552
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 7

     

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