COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553247
Chemical Name: (5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate
Smiles: COC(CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)OC

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Molecular Weight: 471.55
Empirical Formula: C23H37NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.146
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 110
Number of rings: 4

     

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