General Information of the Compound
| Compound ID |
CP0855800
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| Compound Name |
4-(4-((4-nitro-2-(trifluoromethyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C18H9F6N5O3
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| Molecular Weight |
457.29
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| Canonical SMILES |
N#Cc1ccc(-n2cc(COc3ccc([N+](=O)[O-])cc3C(F)(F)F)nn2)cc1C(F)(F)F
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| InChI |
InChI=1S/C18H9F6N5O3/c19-17(20,21)14-5-12(2-1-10(14)7-25)28-8-11(26-27-28)9-32-16-4-3-13(29(30)31)6-15(16)18(22,23)24/h1-6,8H,9H2
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| InChIKey |
ZDTSWELNOMCMMY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound