COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060651
Chemical Name: N-[(E)-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=N/n1cnnc1

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Molecular Weight: 407.31
Empirical Formula: C17H12F3N5O4

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 2.028
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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