COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532768
Chemical Name: N-{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]butanoyl}phenylalanine
Smiles: O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)NC(C(=O)O)Cc1ccccc1

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Molecular Weight: 616.71
Empirical Formula: C32H44N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.454
Rotatable bonds: 13
H-donors: 3
H-acceptors: 10
PSA: 158
Number of rings: 5

     

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