General Information of the Compound
| Compound ID |
CP0512810
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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]-3-methylbenzamide
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| Structure |
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| Formula |
C26H30N8O
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| Molecular Weight |
470.581
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| Canonical SMILES |
CCNC(=O)c1ccc(c(C)c1)-c1cc2nnn(C3CCN(CC3)c3ncc(CC)cn3)c2cn1
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| InChI |
InChI=1S/C26H30N8O/c1-4-18-14-29-26(30-15-18)33-10-8-20(9-11-33)34-24-16-28-22(13-23(24)31-32-34)21-7-6-19(12-17(21)3)25(35)27-5-2/h6-7,12-16,20H,4-5,8-11H2,1-3H3,(H,27,35)
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| InChIKey |
CSNXCDMGRSIGPF-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