General Information of the Compound
| Compound ID |
CP0439943
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| Compound Name |
Tert-butyl ((1-(4-((4-methoxybenzyl)oxy)pyrimidin-2-yl)-4-methylpiperidin-4-yl)methyl)carbamate
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| Structure |
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| Formula |
C17H20F3N5OS
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| Molecular Weight |
399.442
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| Canonical SMILES |
CC1(CN)CCN(CC1)c1ncc(Sc2cccnc2C(F)(F)F)c(=O)[nH]1
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| InChI |
InChI=1S/C17H20F3N5OS/c1-16(10-21)4-7-25(8-5-16)15-23-9-12(14(26)24-15)27-11-3-2-6-22-13(11)17(18,19)20/h2-3,6,9H,4-5,7-8,10,21H2,1H3,(H,23,24,26)
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| InChIKey |
OWJVXNYVTUXGIY-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