COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551424
Chemical Name: (9R,16S,16aR)-1-(methylcarbamoyl)-4-nitro-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxylicacid
Smiles: CNC(=O)C1(Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)[N+](=O)[O-])C(=O)O

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Molecular Weight: 438.44
Empirical Formula: C22H22N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.283
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 135
Number of rings: 5

     

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