COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183145
Chemical Name: (2E)-3-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-cyano-N-cyclohexylprop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C(=O)NC1CCCCC1

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Molecular Weight: 493.87
Empirical Formula: C23H19ClF3N3O4

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 5.263
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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