COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534592
Chemical Name: N-(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)leucylglutamicacid
Smiles: CC(CC(C(=O)NC(C(=O)O)CCC(=O)O)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)C

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Molecular Weight: 626.7
Empirical Formula: C30H46N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.747
Rotatable bonds: 16
H-donors: 4
H-acceptors: 12
PSA: 196
Number of rings: 4

     

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