General Information of the Compound
| Compound ID |
CP0282932
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| Compound Name |
N-piperidin-4-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
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| Structure |
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| Formula |
C17H17F3N6O
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| Molecular Weight |
378.358
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CCNCC3)nc12
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| InChI |
InChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23)
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| InChIKey |
KRZFOHDWKJHXLR-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