General Information of the Compound
| Compound ID |
CP0466419
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| Compound Name |
3-[(2-hexoxy-4-methylnaphthalen-1-yl)methylamino]propanoic acid
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| Structure |
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| Formula |
C21H29NO3
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| Molecular Weight |
343.467
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| Canonical SMILES |
CCCCCCOc1cc(C)c2ccccc2c1CNCCC(O)=O
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| InChI |
InChI=1S/C21H29NO3/c1-3-4-5-8-13-25-20-14-16(2)17-9-6-7-10-18(17)19(20)15-22-12-11-21(23)24/h6-7,9-10,14,22H,3-5,8,11-13,15H2,1-2H3,(H,23,24)
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| InChIKey |
YVYVMOUCDLQYEP-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