General Information of the Compound
| Compound ID |
CP0133107
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| Compound Name |
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C23H27FN4O4
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| Molecular Weight |
442.491
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| Canonical SMILES |
CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H27FN4O4/c1-27(12-20-25-19-8-11-32-14-18(19)23(31)26-20)21(29)13-28-9-6-16(7-10-28)22(30)15-2-4-17(24)5-3-15/h2-5,16H,6-14H2,1H3,(H,25,26,31)
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| InChIKey |
ZWIJUUMFHSAWDX-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