General Information of the Compound
| Compound ID |
CP0445814
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| Compound Name |
N-(2,6-difluorophenyl)-4-[2-methyl-4-[[6-(methylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]phenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H27F2N7O2
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| Molecular Weight |
519.556
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| Canonical SMILES |
CNc1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1
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| InChI |
InChI=1S/C27H27F2N7O2/c1-16-12-17(34-26-19-13-24(30-2)31-14-22(19)32-15-33-26)6-7-23(16)38-18-8-10-36(11-9-18)27(37)35-25-20(28)4-3-5-21(25)29/h3-7,12-15,18H,8-11H2,1-2H3,(H,30,31)(H,35,37)(H,32,33,34)
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| InChIKey |
ZCWQOSHTRUGYHP-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