General Information of the Compound
| Compound ID |
CP0474925
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| Compound Name |
3-chloro-N-ethyl-4-[3-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]triazolo[4,5-c]pyridin-6-yl]benzamide
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| Structure |
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| Formula |
C25H27ClN8O
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| Molecular Weight |
490.999
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| Canonical SMILES |
CCNC(=O)c1ccc(c(Cl)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
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| InChI |
InChI=1S/C25H27ClN8O/c1-3-16-13-29-25(30-14-16)33-9-7-18(8-10-33)34-23-15-28-21(12-22(23)31-32-34)19-6-5-17(11-20(19)26)24(35)27-4-2/h5-6,11-15,18H,3-4,7-10H2,1-2H3,(H,27,35)
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| InChIKey |
JXKJVRGHQGOSMU-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