General Information of the Compound
| Compound ID |
CP0318468
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| Compound Name |
3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
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| Structure |
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| Formula |
C16H11F3N10
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| Molecular Weight |
400.328
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| Canonical SMILES |
FC(F)(F)Cn1cc(cn1)-c1cnc2nnn(Cc3n[nH]c4ncccc34)c2n1
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| InChI |
InChI=1S/C16H11F3N10/c17-16(18,19)8-28-6-9(4-22-28)11-5-21-14-15(23-11)29(27-26-14)7-12-10-2-1-3-20-13(10)25-24-12/h1-6H,7-8H2,(H,20,24,25)
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| InChIKey |
SLJLWGBRXYDTGG-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