COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179086
Chemical Name: (2E)-3-{3-chloro-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCc1cccc(c1)[N+](=O)[O-])/C(=O)Nc1cccc(c1Cl)Cl

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Molecular Weight: 532.77
Empirical Formula: C24H16Cl3N3O5

Physical State: Dry powder
Available Amount: 262 mg

Lipinsky:
logP: 6.676
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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