General Information of the Compound
| Compound ID |
CP0467371
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| Compound Name |
4-[[7-(3-methylphenyl)-1-benzothiophen-2-yl]methylamino]butanoic acid
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| Structure |
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| Formula |
C20H21NO2S
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| Molecular Weight |
339.46
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| Canonical SMILES |
Cc1cccc(c1)-c1cccc2cc(CNCCCC(O)=O)sc12
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| InChI |
InChI=1S/C20H21NO2S/c1-14-5-2-6-15(11-14)18-8-3-7-16-12-17(24-20(16)18)13-21-10-4-9-19(22)23/h2-3,5-8,11-12,21H,4,9-10,13H2,1H3,(H,22,23)
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| InChIKey |
SHVMBRVYEJSEHX-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