COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550112
Chemical Name: 3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-
Smiles: CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O

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Molecular Weight: 623.73
Empirical Formula: C32H37N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.836
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 171
Number of rings: 5

     

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