COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554460
Chemical Name: [(1S,2R,3S,3aR)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](3-nitrophenyl)methanone
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1

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Molecular Weight: 471.47
Empirical Formula: C26H21N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.766
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 121
Number of rings: 5

     

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