COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526077
Chemical Name: (8xi,9xi,14xi,17xi)-3-hydroxy-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pregn-5-en-20-one
Smiles: COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)C)cc2c1OCO2

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Molecular Weight: 535.72
Empirical Formula: C33H45NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.452
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 7

     

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