COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725420
Chemical Name: N-[(1E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Smiles: O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)C)N1CCCCCC1

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Molecular Weight: 449.55
Empirical Formula: C26H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.156
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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