General Information of the Compound
| Compound ID |
CP0563272
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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]-2,3-difluorobenzamide
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| Structure |
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| Formula |
C25H26F2N8O
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| Molecular Weight |
492.534
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| Canonical SMILES |
CCNC(=O)c1ccc(c(F)c1F)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
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| InChI |
InChI=1S/C25H26F2N8O/c1-3-15-12-30-25(31-13-15)34-9-7-16(8-10-34)35-21-14-29-19(11-20(21)32-33-35)17-5-6-18(23(27)22(17)26)24(36)28-4-2/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,28,36)
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| InChIKey |
ZBVZGAUWEQCJTN-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