COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532652
Chemical Name: 4-[(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]butanoicacid
Smiles: O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)O

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Molecular Weight: 469.53
Empirical Formula: C23H35NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.973
Rotatable bonds: 10
H-donors: 2
H-acceptors: 9
PSA: 129
Number of rings: 4

     

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