COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553282
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-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(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)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 526.63
Empirical Formula: C29H38N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.465
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 108
Number of rings: 6

     

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