COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043730
Chemical Name: (2E)-3-{2-[(3-chlorobenzyl)oxy]-3-methoxyphenyl}-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1OCc1cccc(c1)Cl)OC)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 498.32
Empirical Formula: C24H17Cl2N3O5

Physical State: Dry powder
Available Amount: 509 mg

Lipinsky:
logP: 6.691
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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