General Information of the Compound
| Compound ID |
CP0425187
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| Compound Name |
2-[4-[[4-[1-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
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| Formula |
C27H27N5O4
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| Molecular Weight |
485.544
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| Canonical SMILES |
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3cccc4OCCOc34)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C27H27N5O4/c1-27(2,33)23-14-17(8-10-28-23)30-24-15-19(9-11-29-24)36-22-16-32(18-6-7-18)31-25(22)20-4-3-5-21-26(20)35-13-12-34-21/h3-5,8-11,14-16,18,33H,6-7,12-13H2,1-2H3,(H,28,29,30)
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| InChIKey |
OTOCGVXGSTWVQZ-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