COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541889
Chemical Name: {(1S,2R,3S)-2-[4-(dimethylamino)phenyl]-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl}(phenyl)methanone
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@H]([C@@H]1c1ccc(cc1)N(C)C)[N+](=O)[O-])cccc3)c1ccccc1

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Molecular Weight: 440.5
Empirical Formula: C26H24N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.441
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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