General Information of the Compound
| Compound ID |
CP0504327
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| Compound Name |
2-[3-[[7-(2-ethylphenyl)-1-benzothiophen-2-yl]methylamino]phenyl]acetic acid
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| Structure |
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| Formula |
C25H23NO2S
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| Molecular Weight |
401.531
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| Canonical SMILES |
CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(O)=O)c3)sc12
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| InChI |
InChI=1S/C25H23NO2S/c1-2-18-8-3-4-11-22(18)23-12-6-9-19-15-21(29-25(19)23)16-26-20-10-5-7-17(13-20)14-24(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
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| InChIKey |
DQEIXFLEOVOQHX-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: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5