COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382728
Chemical Name: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

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Molecular Weight: 463.88
Empirical Formula: C24H18ClN3O5

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 6.202
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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