General Information of the Compound
| Compound ID |
CP0376590
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| Compound Name |
2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline
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| Structure |
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| Formula |
C19H25FN2O2
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| Molecular Weight |
332.419
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| Canonical SMILES |
CN(C)Cc1cc(OCCCF)ccc1Oc1ccc(C)cc1N
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| InChI |
InChI=1S/C19H25FN2O2/c1-14-5-7-19(17(21)11-14)24-18-8-6-16(23-10-4-9-20)12-15(18)13-22(2)3/h5-8,11-12H,4,9-10,13,21H2,1-3H3
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| InChIKey |
DOYLLHOWPJQFPA-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