General Information of the Compound
| Compound ID |
CP0362920
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| Compound Name |
3-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-ol
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| Structure |
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| Formula |
C25H25F5N6O2
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| Molecular Weight |
536.505
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| Canonical SMILES |
OC1(CN(CC(F)(F)F)C1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C25H25F5N6O2/c26-24(27)9-15(10-24)22-19(11-36(34-22)17-1-2-17)38-18-4-6-32-21(8-18)33-16-3-5-31-20(7-16)23(37)12-35(13-23)14-25(28,29)30/h3-8,11,15,17,37H,1-2,9-10,12-14H2,(H,31,32,33)
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| InChIKey |
WSOKUBJRKRFRAP-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