COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553246
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-oxo-4-[(pyridin-4-ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccncc1)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

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Molecular Weight: 474.55
Empirical Formula: C25H34N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.667
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 5

     

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