General Information of the Compound
| Compound ID |
CP0474891
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| Compound Name |
N-ethyl-4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]triazolo[4,5-c]pyridin-6-yl]-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H27F3N8O
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| Molecular Weight |
524.551
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| Canonical SMILES |
CCNC(=O)c1ccc(cc1C(F)(F)F)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
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| InChI |
InChI=1S/C26H27F3N8O/c1-3-16-13-32-25(33-14-16)36-9-7-18(8-10-36)37-23-15-31-21(12-22(23)34-35-37)17-5-6-19(24(38)30-4-2)20(11-17)26(27,28)29/h5-6,11-15,18H,3-4,7-10H2,1-2H3,(H,30,38)
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| InChIKey |
QDTXICLQKBKAEG-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