General Information of the Compound
| Compound ID |
CP0722990
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| Compound Name |
R/S-(2S,3S)-N-(2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzyl)-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C22H27F3N2O2
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| Molecular Weight |
408.464
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| Canonical SMILES |
COc1ccc(C(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
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| InChI |
InChI=1S/C22H27F3N2O2/c1-28-19-11-10-16(21(29-2)22(23,24)25)13-17(19)14-27-18-9-6-12-26-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-21,26-27H,6,9,12,14H2,1-2H3/t18-,20-,21?/m0/s1
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| InChIKey |
PLNKPZJIUDXZNC-WZENJKSDSA-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