COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552041
Chemical Name: [(1R,2S,3R)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@H]([C@H]1c1ccc(cc1)Br)[N+](=O)[O-])cccc3

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Molecular Weight: 506.36
Empirical Formula: C25H20BrN3O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 6.179
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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