COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537025
Chemical Name: (8xi,9xi,14xi,17xi)-21-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-20-oxopregn-5-en-3-ylacetate
Smiles: COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)OC(=O)C)C)cc2c1OCO2

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Molecular Weight: 577.76
Empirical Formula: C35H47NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.306
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 74
Number of rings: 7

     

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