General Information of the Compound
| Compound ID |
CP0311454
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpiperidin-4-yl)methyl]oxamide
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| Structure |
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| Formula |
C16H21ClFN3O2
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| Molecular Weight |
341.814
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| Canonical SMILES |
CCN1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C16H21ClFN3O2/c1-2-21-7-5-11(6-8-21)10-19-15(22)16(23)20-12-3-4-13(17)14(18)9-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,22)(H,20,23)
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| InChIKey |
LODNRFGGKLOIPX-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