General Information of the Compound
| Compound ID |
CP0852115
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| Compound Name |
5-[(4,4-Diphenylbut-3-enylamino)methyl]-2-methoxyphenol
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| Structure |
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| Formula |
C24H25NO2
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| Molecular Weight |
359.469
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| Canonical SMILES |
COc1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1O
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| InChI |
InChI=1S/C24H25NO2/c1-27-24-15-14-19(17-23(24)26)18-25-16-8-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-15,17,25-26H,8,16,18H2,1H3
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| InChIKey |
WEZXNINTRZYZHE-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