COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525002
Chemical Name: benzylN-{(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}leucinate
Smiles: CC(CC(C(=O)OCc1ccccc1)NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)C

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Molecular Weight: 515.57
Empirical Formula: C29H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.621
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 130
Number of rings: 3

     

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