General Information of the Compound
| Compound ID |
CP0446684
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| Compound Name |
3-[1-(4,4-diphenylbut-3-enyl)imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
OC(=O)CCc1nccn1CCC=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H22N2O2/c25-22(26)14-13-21-23-15-17-24(21)16-7-12-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,15,17H,7,13-14,16H2,(H,25,26)
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| InChIKey |
WSJGZFXBIMCADT-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