General Information of the Compound
| Compound ID |
CP0571610
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| Compound Name |
3-[(4-methyl-2-octoxynaphthalen-1-yl)methylamino]propanoic acid
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| Structure |
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| Formula |
C23H33NO3
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| Molecular Weight |
371.521
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| Canonical SMILES |
CCCCCCCCOc1cc(C)c2ccccc2c1CNCCC(O)=O
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| InChI |
InChI=1S/C23H33NO3/c1-3-4-5-6-7-10-15-27-22-16-18(2)19-11-8-9-12-20(19)21(22)17-24-14-13-23(25)26/h8-9,11-12,16,24H,3-7,10,13-15,17H2,1-2H3,(H,25,26)
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| InChIKey |
VYXPGVWMUPSZLZ-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5