General Information of the Compound
| Compound ID |
CP0429973
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| Compound Name |
2-[2-[(dimethylamino)methyl]-4-(4-fluorobutoxy)phenoxy]-5-methylaniline
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| Structure |
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| Formula |
C20H27FN2O2
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| Molecular Weight |
346.446
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| Canonical SMILES |
CN(C)Cc1cc(OCCCCF)ccc1Oc1ccc(C)cc1N
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| InChI |
InChI=1S/C20H27FN2O2/c1-15-6-8-20(18(22)12-15)25-19-9-7-17(24-11-5-4-10-21)13-16(19)14-23(2)3/h6-9,12-13H,4-5,10-11,14,22H2,1-3H3
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| InChIKey |
ASGNFMOFCHAUOT-UHFFFAOYSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter