COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297664
Chemical Name: N-[(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(o1)Br

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Molecular Weight: 452.22
Empirical Formula: C17H14BrN3O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.354
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 154
Number of rings: 2

     

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