COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380854
Chemical Name: N-[(2Z)-2-{[(2-bromophenyl)carbonyl]amino}-3-(4-nitrophenyl)prop-2-enoyl]valine
Smiles: CC(C(C(=O)O)NC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1Br)C

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Molecular Weight: 490.31
Empirical Formula: C21H20BrN3O6

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 3.007
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 141
Number of rings: 2

     

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