COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432696
Chemical Name: (2E)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrilehydrochloride
Smiles: N#C/C(=C\c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/c1nc2c([nH]1)cc(cc2)C.Cl

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Molecular Weight: 530.89
Empirical Formula: C25H18ClF3N4O4

Physical State: Dry powder
Available Amount: 583 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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