General Information of the Compound
| Compound ID |
CP0514845
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[(5-ethylpyridin-2-yl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C21H24ClF2N3O
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| Molecular Weight |
407.892
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| Canonical SMILES |
CCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
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| InChI |
InChI=1S/C21H24ClF2N3O/c1-2-15-3-5-17(26-12-15)13-25-14-21(24)7-9-27(10-8-21)20(28)16-4-6-19(23)18(22)11-16/h3-6,11-12,25H,2,7-10,13-14H2,1H3
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| InChIKey |
CUMNPPRDFFGUEM-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