COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553027
Chemical Name: (8xi,9xi,14xi)-16-hydroxy-16-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)ethynyl]androst-4-en-3-one
Smiles: COc1c2OCOc2cc2c1C(C#CC1(O)CC3[C@](C1)(C)CCC1C3CCC3=CC(=O)CC[C@]13C)[NH+](CC2)C

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Saltdata: Cl-
Molecular Weight: 532.7
Empirical Formula: C33H42NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.554
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 69
Number of rings: 7

     

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