COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546992
Chemical Name: methyl3-hydroxy-5-{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-yl}-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Smiles: CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)n1cc(C(=O)OC)c2c(c1)c(O)nn2

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Molecular Weight: 497.58
Empirical Formula: C24H27N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.464
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 5

     

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