General Information of the Compound
| Compound ID |
CP0436615
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| Compound Name |
3-[[(E)-2-methyl-3-[4-(4-phenylbutoxy)phenyl]prop-2-enyl]amino]propanoic acid
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| Structure |
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| Formula |
C23H29NO3
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| Molecular Weight |
367.489
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| Canonical SMILES |
C\C(CNCCC(O)=O)=C/c1ccc(OCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H29NO3/c1-19(18-24-15-14-23(25)26)17-21-10-12-22(13-11-21)27-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,24H,5-6,9,14-16,18H2,1H3,(H,25,26)/b19-17+
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| InChIKey |
FPOGVZINQXODPA-HTXNQAPBSA-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