General Information of the Compound
| Compound ID |
CP0537930
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| Compound Name |
1-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]-2,2,2-trifluoroethanol
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| Formula |
C22H20F5N5O2
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| Molecular Weight |
481.425
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| Canonical SMILES |
OC(c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F5N5O2/c23-21(24)9-12(10-21)19-17(11-32(31-19)14-1-2-14)34-15-4-6-29-18(8-15)30-13-3-5-28-16(7-13)20(33)22(25,26)27/h3-8,11-12,14,20,33H,1-2,9-10H2,(H,28,29,30)
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| InChIKey |
ZKDHGARURWAONW-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