General Information of the Compound
| Compound ID |
CP0352360
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| Compound Name |
4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxypyridin-2-yl]amino]-2-(3-hydroxy-3-methylazetidin-1-yl)benzonitrile
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| Structure |
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| Formula |
C27H30N6O3
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| Molecular Weight |
486.576
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| Canonical SMILES |
CC1(O)CN(C1)c1cc(Nc2cc(Oc3cn(nc3C3CCOCC3)C3CC3)ccn2)ccc1C#N
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| InChI |
InChI=1S/C27H30N6O3/c1-27(34)16-32(17-27)23-12-20(3-2-19(23)14-28)30-25-13-22(6-9-29-25)36-24-15-33(21-4-5-21)31-26(24)18-7-10-35-11-8-18/h2-3,6,9,12-13,15,18,21,34H,4-5,7-8,10-11,16-17H2,1H3,(H,29,30)
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| InChIKey |
XJOWZMINWBTRJB-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