COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK758089
Chemical Name: (2Z)-2-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1-benzothiophen-3(2H)-one
Smiles: COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 473.43
Empirical Formula: C23H14F3NO5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.188
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 4

     

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