COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK764836
Chemical Name: ethyl4-{[1-(4-bromophenyl)-3-(4-nitrophenyl)-3-oxopropyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(c1ccc(cc1)Br)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 497.35
Empirical Formula: C24H21BrN2O5

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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