General Information of the Compound
| Compound ID |
CP0424950
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| Compound Name |
2-[3-[4-[7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
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| Structure |
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| Formula |
C20H18F3N9
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| Molecular Weight |
441.421
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CN(CC(F)(F)F)C2)n2ncnc2c1
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| InChI |
InChI=1S/C20H18F3N9/c1-29-8-15(6-26-29)14-4-17(32-18(5-14)25-13-28-32)16-7-27-31(9-16)19(2-3-24)10-30(11-19)12-20(21,22)23/h4-9,13H,2,10-12H2,1H3
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| InChIKey |
ZFWQWZIPMKNTLV-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