COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549551
Chemical Name: (6R,6aS)-6-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-nitro-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinolin-10-one
Smiles: O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])N1CCc2c(C1)cccc2

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Molecular Weight: 496.57
Empirical Formula: C29H28N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.921
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 7

     

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