General Information of the Compound
| Compound ID |
CP0510728
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| Compound Name |
3-[1-[4-[9-(4-methoxyphenyl)fluoren-9-yl]oxybutyl]imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C30H30N2O4
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| Molecular Weight |
482.58
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| Canonical SMILES |
COc1ccc(cc1)C1(OCCCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C30H30N2O4/c1-35-23-14-12-22(13-15-23)30(26-10-4-2-8-24(26)25-9-3-5-11-27(25)30)36-21-7-6-19-32-20-18-31-28(32)16-17-29(33)34/h2-5,8-15,18,20H,6-7,16-17,19,21H2,1H3,(H,33,34)
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| InChIKey |
LCRKFJDFZJXMCY-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: PT03705, Sodium- and chloride-dependent GABA transporter 2