General Information of the Compound
| Compound ID |
CP0374433
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(hydroxymethyl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H22ClF2N3O2
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| Molecular Weight |
409.864
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| Canonical SMILES |
OCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
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| InChI |
InChI=1S/C20H22ClF2N3O2/c21-17-9-15(2-4-18(17)22)19(28)26-7-5-20(23,6-8-26)13-24-11-16-3-1-14(12-27)10-25-16/h1-4,9-10,24,27H,5-8,11-13H2
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| InChIKey |
OLGBZTBXIBPUCI-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