COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552583
Chemical Name: (1S,5R)-3-(3-{[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-2-(4-methoxyphenyl)-2-oxoethyl]amino}propanoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc(cc1)C(=O)C(c1oc(C)cc(=O)c1O)NCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 533.58
Empirical Formula: C29H31N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.132
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 125
Number of rings: 5

     

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