General Information of the Compound
| Compound ID |
CP0296382
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]oxamide
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| Structure |
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| Formula |
C16H21ClFN3O3
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| Molecular Weight |
357.813
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| Canonical SMILES |
OCCN1CCCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1
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| InChI |
InChI=1S/C16H21ClFN3O3/c17-13-4-3-12(8-14(13)18)20-16(24)15(23)19-9-11-2-1-5-21(10-11)6-7-22/h3-4,8,11,22H,1-2,5-7,9-10H2,(H,19,23)(H,20,24)
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| InChIKey |
JQZFZGTZXCOQCY-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