COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526686
Chemical Name: N-{(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}valine
Smiles: CC(C(C(=O)O)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)C

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Molecular Weight: 411.41
Empirical Formula: C21H21N3O6

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.779
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 141
Number of rings: 2

     

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