General Information of the Compound
| Compound ID |
CP0510713
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| Compound Name |
2-[4-[4-[[7-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C26H24F2N6O3
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| Molecular Weight |
506.513
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| Canonical SMILES |
NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5OC(F)(F)Oc45)n3n2)cc1
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| InChI |
InChI=1S/C26H24F2N6O3/c27-26(28)36-22-3-1-2-20(24(22)37-26)21-9-8-19-14-30-25(32-34(19)21)31-18-6-4-16(5-7-18)17-10-12-33(13-11-17)15-23(29)35/h1-9,14,17H,10-13,15H2,(H2,29,35)(H,31,32)
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| InChIKey |
DZPFKGQUWAWYKE-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