General Information of the Compound
| Compound ID |
CP0388426
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| Compound Name |
4-[[7-[3-(trifluoromethyl)phenyl]-1-benzothiophen-2-yl]methylamino]butanoic acid
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| Structure |
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| Formula |
C20H18F3NO2S
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| Molecular Weight |
393.43
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| Canonical SMILES |
OC(=O)CCCNCc1cc2cccc(-c3cccc(c3)C(F)(F)F)c2s1
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| InChI |
InChI=1S/C20H18F3NO2S/c21-20(22,23)15-6-1-4-13(10-15)17-7-2-5-14-11-16(27-19(14)17)12-24-9-3-8-18(25)26/h1-2,4-7,10-11,24H,3,8-9,12H2,(H,25,26)
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| InChIKey |
QWRJOELCSWLLJI-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