COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553363
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-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: COc1cc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5C3([C@H]([C@H]2C)CC[C@H]5C)OO4)ccc1OC

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Molecular Weight: 547.65
Empirical Formula: C29H41NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.278
Rotatable bonds: 9
H-donors: 1
H-acceptors: 9
PSA: 110
Number of rings: 5

     

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