General Information of the Compound
| Compound ID |
CP0458153
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| Compound Name |
3-[1-[5-[9-(4-methoxyphenyl)fluoren-9-yl]oxypentyl]imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C31H32N2O4
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| Molecular Weight |
496.607
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| Canonical SMILES |
COc1ccc(cc1)C1(OCCCCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C31H32N2O4/c1-36-24-15-13-23(14-16-24)31(27-11-5-3-9-25(27)26-10-4-6-12-28(26)31)37-22-8-2-7-20-33-21-19-32-29(33)17-18-30(34)35/h3-6,9-16,19,21H,2,7-8,17-18,20,22H2,1H3,(H,34,35)
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| InChIKey |
CTWSBOSWNLVAIR-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