COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185275
Chemical Name: (2E)-2-cyano-N-(4-methoxybenzyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enamide
Smiles: COc1ccc(cc1)CNC(=O)/C(=C/c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C#N

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Molecular Weight: 497.43
Empirical Formula: C25H18F3N3O5

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 4.725
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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