COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561709
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-(2-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}ethyl)-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2'
Smiles: CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 672.81
Empirical Formula: C35H40N6O6S

Available Amount: 0 mg

Lipinsky:
logP: -0.234
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 147
Number of rings: 8

     

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