General Information of the Compound
| Compound ID |
CP0568822
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| Compound Name |
2-[4-[[4-[1-cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
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| Formula |
C24H27F3N6O2
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| Molecular Weight |
488.514
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| Canonical SMILES |
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CN(CC(F)(F)F)C3)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C24H27F3N6O2/c1-23(2,34)20-9-16(5-7-28-20)30-21-10-18(6-8-29-21)35-19-13-33(17-3-4-17)31-22(19)15-11-32(12-15)14-24(25,26)27/h5-10,13,15,17,34H,3-4,11-12,14H2,1-2H3,(H,28,29,30)
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| InChIKey |
FJFHRKNVUHXQOM-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