General Information of the Compound
| Compound ID |
CP0447150
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| Compound Name |
3-(3-(4-(6-phenylhexyloxy)phenyl)propylamino)propanoic acid
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| Structure |
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| Formula |
C24H33NO3
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| Molecular Weight |
383.532
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| Canonical SMILES |
OC(=O)CCNCCCc1ccc(OCCCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C24H33NO3/c26-24(27)17-19-25-18-8-12-22-13-15-23(16-14-22)28-20-7-2-1-4-9-21-10-5-3-6-11-21/h3,5-6,10-11,13-16,25H,1-2,4,7-9,12,17-20H2,(H,26,27)
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| InChIKey |
NNOTVHHYIUPGIS-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