General Information of the Compound
| Compound ID |
CP0454846
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| Compound Name |
(R)-(2-Methoxy-benzyl)-((S)-2-phenyl-piperidin-3-yl)-amine
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| Structure |
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| Formula |
C19H24N2O
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| Molecular Weight |
296.414
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| Canonical SMILES |
COc1ccccc1CNC1CCCN[C@H]1c1ccccc1
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| InChI |
InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17?,19-/m0/s1
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| InChIKey |
DTQNEFOKTXXQKV-NNBQYGFHSA-N
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| CAS |
136982-36-0
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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