COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743354
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/c1nc2c([nH]1)cccc2

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Molecular Weight: 450.38
Empirical Formula: C23H13F3N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.67
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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