COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549813
Chemical Name: 1-[(1R,2S,3R)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]-2,2-dimethylpropan-1-one
Smiles: [O-][N+](=O)[C@@H]1[C@@H](c2ccc(cc2)Br)[C@@H](N2C1c1ccccc1C=N2)C(=O)C(C)(C)C

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Molecular Weight: 456.34
Empirical Formula: C22H22BrN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.649
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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