COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522808
Chemical Name: methyl2-({(2E)-2-cyano-3-[4-(2,4-dinitrophenoxy)phenyl]prop-2-enoyl}amino)benzoate
Smiles: N#C/C(=C\c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 488.41
Empirical Formula: C24H16N4O8

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 5.535
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 3

     

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