General Information of the Compound
| Compound ID |
CP0435451
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| Compound Name |
1-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-2,3-dihydroindole
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| Structure |
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| Formula |
C18H15F3N4
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| Molecular Weight |
344.34
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| Canonical SMILES |
FC(F)(F)c1ccccc1-n1cc(CN2CCc3ccccc23)nn1
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| InChI |
InChI=1S/C18H15F3N4/c19-18(20,21)15-6-2-4-8-17(15)25-12-14(22-23-25)11-24-10-9-13-5-1-3-7-16(13)24/h1-8,12H,9-11H2
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| InChIKey |
CMSXRODCFJQRQV-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