COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK832098
Chemical Name: N-[(1E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Smiles: O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccco1)N1CCCCCC1

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Molecular Weight: 383.4
Empirical Formula: C20H21N3O5

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.259
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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