General Information of the Compound
| Compound ID |
CP0466636
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| Compound Name |
2-methyl-3-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]propanoic acid
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| Structure |
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| Formula |
C23H21NO2S
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| Molecular Weight |
375.493
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| Canonical SMILES |
CC(CNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1)C(O)=O
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| InChI |
InChI=1S/C23H21NO2S/c1-15(23(25)26)13-24-14-21-12-20-11-19(8-9-22(20)27-21)18-7-6-16-4-2-3-5-17(16)10-18/h2-12,15,24H,13-14H2,1H3,(H,25,26)
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| InChIKey |
PAIIIKVRFZNHMW-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