COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533203
Chemical Name: (5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl4-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}amino)-4-oxobutanoate
Smiles: O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)ON1C(=O)CCC1=O

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Molecular Weight: 566.61
Empirical Formula: C27H38N2O11

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.87
Rotatable bonds: 10
H-donors: 1
H-acceptors: 11
PSA: 156
Number of rings: 5

     

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