COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552357
Chemical Name: [(4aR,5S,6R,7S)-6-(4-bromophenyl)-5-nitro-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazin-7-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@H]([C@@H]1c1ccc(cc1)Br)[N+](=O)[O-]

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Molecular Weight: 456.3
Empirical Formula: C21H18BrN3O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.732
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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