General Information of the Compound
| Compound ID |
CP0501361
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| Compound Name |
3-(4-(4-(3-phenylpropoxy)phenyl)-5,6-dihydropyridin-1(2H)-yl)propanoic acid
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| Structure |
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| Formula |
C23H27NO3
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| Molecular Weight |
365.473
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| Canonical SMILES |
OC(=O)CCN1CCC(=CC1)c1ccc(OCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H27NO3/c25-23(26)14-17-24-15-12-21(13-16-24)20-8-10-22(11-9-20)27-18-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-12H,4,7,13-18H2,(H,25,26)
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| InChIKey |
MDNBHQVSBWFJLJ-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: PT01838, Sphingosine 1-phosphate receptor 3