General Information of the Compound
| Compound ID |
CP0893161
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| Compound Name |
5-n-Dodecylaminomethyl-2-methoxyphenol
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| Structure |
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| Formula |
C20H35NO2
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| Molecular Weight |
321.505
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| Canonical SMILES |
CCCCCCCCCCCCNCc1ccc(OC)c(O)c1
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| InChI |
InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-10-11-12-15-21-17-18-13-14-20(23-2)19(22)16-18/h13-14,16,21-22H,3-12,15,17H2,1-2H3
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| InChIKey |
JDKPVYCGWSWPHW-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3