General Information of the Compound
| Compound ID |
CP0172082
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| Compound Name |
1-{2-[9-(4-Methoxy-phenyl)-9H-fluoren-9-yloxy]-ethyl}-piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H29NO4
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| Molecular Weight |
443.543
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| Canonical SMILES |
COc1ccc(cc1)C1(OCCN2CCCC(C2)C(O)=O)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C28H29NO4/c1-32-22-14-12-21(13-15-22)28(33-18-17-29-16-6-7-20(19-29)27(30)31)25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-5,8-15,20H,6-7,16-19H2,1H3,(H,30,31)
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| InChIKey |
PDWYUQWCERDHRZ-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: PT02527, Sodium- and chloride-dependent betaine transporter
Protein ID: PT02525, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3