General Information of the Compound
| Compound ID |
CP0562291
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| Compound Name |
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
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| Structure |
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| Formula |
C19H22F2N2O
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| Molecular Weight |
332.394
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| Canonical SMILES |
FC(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
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| InChI |
InChI=1S/C19H22F2N2O/c20-19(21)24-17-11-5-4-9-15(17)13-23-16-10-6-12-22-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18-19,22-23H,6,10,12-13H2/t16-,18-/m0/s1
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| InChIKey |
KOHCJNXQELPZKP-WMZOPIPTSA-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