General Information of the Compound
Compound ID |
CP0002722
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Compound Name |
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
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Synonyms |
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
CHEMBL1173277
RLZACOPBIXSOEX-SMDDNHRTSA-N
SCHEMBL15007654
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Structure |
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Formula |
C14H21NO2
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Molecular Weight |
235.327
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Canonical SMILES |
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1
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InChI |
InChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
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InChIKey |
RLZACOPBIXSOEX-SMDDNHRTSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound
Drug 1 ( (2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol )
Drug Name | (2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol | ||
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Target(s) |