General Information of the Compound
| Compound ID |
CP0887835
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| Compound Name |
1-(2-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-6-azaspiro[3.4]octan-6-yl)ethanone hydrochloride
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| Structure |
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| Formula |
C16H21ClF3N3O2
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| Molecular Weight |
379.81
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| Canonical SMILES |
CC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1.Cl
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| InChI |
InChI=1S/C16H20F3N3O2.ClH/c1-10(23)22-3-2-15(9-22)6-12(7-15)24-14-5-11(8-20)4-13(21-14)16(17,18)19;/h4-5,12H,2-3,6-9,20H2,1H3;1H
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| InChIKey |
ZANINFWFGVQKKJ-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