General Information of the Compound
| Compound ID |
CP0398085
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| Compound Name |
(R)-1-(4-(4-chloro-2-fluorophenyl)piperidin-1-yl)-2-(pyridin-4-ylmethoxy)propan-1-one
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| Structure |
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| Formula |
C20H22ClFN2O2
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| Molecular Weight |
376.859
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| Canonical SMILES |
C[C@@H](OCc1ccncc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1F
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| InChI |
InChI=1S/C20H22ClFN2O2/c1-14(26-13-15-4-8-23-9-5-15)20(25)24-10-6-16(7-11-24)18-3-2-17(21)12-19(18)22/h2-5,8-9,12,14,16H,6-7,10-11,13H2,1H3/t14-/m1/s1
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| InChIKey |
QJDIYMTUMQDQJB-CQSZACIVSA-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