General Information of the Compound
| Compound ID |
CP0126602
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| Compound Name |
N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
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| Structure |
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| Formula |
C21H23F3N6O
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| Molecular Weight |
432.45
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12
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| InChI |
InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
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| InChIKey |
GUNWLRDFSJIUEI-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