General Information of the Compound
| Compound ID |
CP0510729
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| Compound Name |
3-[1-[2-[(E)-3-[9-(4-methoxyphenyl)fluoren-9-yl]prop-2-enoxy]ethyl]imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C31H30N2O4
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| Molecular Weight |
494.591
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| Canonical SMILES |
COc1ccc(cc1)C1(\C=C\COCCn2ccnc2CCC(O)=O)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C31H30N2O4/c1-36-24-13-11-23(12-14-24)31(27-9-4-2-7-25(27)26-8-3-5-10-28(26)31)17-6-21-37-22-20-33-19-18-32-29(33)15-16-30(34)35/h2-14,17-19H,15-16,20-22H2,1H3,(H,34,35)/b17-6+
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| InChIKey |
HRUZDAUMBPGGNG-UBKPWBPPSA-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