General Information of the Compound
| Compound ID |
CP0434278
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| Compound Name |
(R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
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| Structure |
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| Formula |
C20H21F3N2O
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| Molecular Weight |
362.395
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| Canonical SMILES |
CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C20H21F3N2O/c1-20(2)15-5-4-6-16(23)18(15)25(19(20)26)17(7-8-24-3)12-9-13(21)11-14(22)10-12/h4-6,9-11,17,24H,7-8H2,1-3H3/t17-/m1/s1
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| InChIKey |
IJZRPGINHKPXPE-QGZVFWFLSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter