General Information of the Compound
| Compound ID |
CP0469270
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| Compound Name |
(3-chloro-4-fluorophenyl)(4-hydroxy-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C20H23ClFN3O2
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| Molecular Weight |
391.874
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| Canonical SMILES |
Cc1ccc(CNCC2(O)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
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| InChI |
InChI=1S/C20H23ClFN3O2/c1-14-2-4-16(24-11-14)12-23-13-20(27)6-8-25(9-7-20)19(26)15-3-5-18(22)17(21)10-15/h2-5,10-11,23,27H,6-9,12-13H2,1H3
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| InChIKey |
BMRVQIPUGJZZJK-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