COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036546
Chemical Name: 4-({(2E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)benzoicacid
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)C(=O)O

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Molecular Weight: 437.8
Empirical Formula: C21H12ClN3O6

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 5.092
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 3

     

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