COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565542
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}threonine
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)C(O)C

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Molecular Weight: 570.64
Empirical Formula: C27H42N2O11

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 1.128
Rotatable bonds: 14
H-donors: 4
H-acceptors: 11
PSA: 178
Number of rings: 4

     

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