General Information of the Compound
| Compound ID |
CP0444993
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| Compound Name |
2-[methyl-[2-(2-naphthalen-1-yl-4-phenylphenoxy)ethyl]amino]acetic acid
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| Structure |
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| Formula |
C27H25NO3
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| Molecular Weight |
411.501
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| Canonical SMILES |
CN(CCOc1ccc(cc1-c1cccc2ccccc12)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C27H25NO3/c1-28(19-27(29)30)16-17-31-26-15-14-22(20-8-3-2-4-9-20)18-25(26)24-13-7-11-21-10-5-6-12-23(21)24/h2-15,18H,16-17,19H2,1H3,(H,29,30)
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| InChIKey |
JRERJBSYQWBMBQ-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2