COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533819
Chemical Name: 4-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)Br

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Molecular Weight: 446.26
Empirical Formula: C19H16BrN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.968
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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