General Information of the Compound
| Compound ID |
CP0351359
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| Compound Name |
N-ethyl-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-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 |
C24H29FN4O4
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| Molecular Weight |
456.518
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| Canonical SMILES |
CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H29FN4O4/c1-2-29(13-21-26-20-9-12-33-15-19(20)24(32)27-21)22(30)14-28-10-7-17(8-11-28)23(31)16-3-5-18(25)6-4-16/h3-6,17H,2,7-15H2,1H3,(H,26,27,32)
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| InChIKey |
TWJFMOWGAAKBEI-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