General Information of the Compound
| Compound ID |
CP0903887
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| Compound Name |
2-(4-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-1H-indol-1-yl)-1-(piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C22H23F3N4O2
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| Molecular Weight |
432.446
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| Canonical SMILES |
NCc1cc(Oc2cccc3c2ccn3CC(=O)N2CCCCC2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C22H23F3N4O2/c23-22(24,25)19-11-15(13-26)12-20(27-19)31-18-6-4-5-17-16(18)7-10-29(17)14-21(30)28-8-2-1-3-9-28/h4-7,10-12H,1-3,8-9,13-14,26H2
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| InChIKey |
XJZJSAGRNWQXBB-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