General Information of the Compound
| Compound ID |
CP0434930
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| Compound Name |
1S,2R-milnacipran
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| Synonyms |
1S,2R-milnacipran
AC1MHWCG
AJ-54473
BDBM50275771
CHEMBL471001
FT-0696627
N,N-Diethyl-1-phenyl-2alpha-(aminomethyl)cyclopropane-1beta-carboxamide
NCGC00165825-02
SCHEMBL1707471
ZINC5649654
cyclopropanecarboxamide,2-(aminomethyl)-n,n-diethyl-1-phenyl-, (1r,2s)-
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| Structure |
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| Formula |
C15H22N2O
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| Molecular Weight |
246.354
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| Canonical SMILES |
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
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| InChI |
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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| InChIKey |
GJJFMKBJSRMPLA-ZFWWWQNUSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01487, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00034, Transporter
Clinical Information about the Compound