General Information of the Compound
| Compound ID |
CP0873010
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| Compound Name |
rac-1-((1-methyl-6-(3-phenylbutoxy)-3,4-dihydronaphthalen-2-yl)methyl)azetidine-3-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C26H32ClNO3
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| Molecular Weight |
441.999
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| Canonical SMILES |
CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21.Cl
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| InChI |
InChI=1S/C26H31NO3.ClH/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29;/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(H,28,29);1H
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| InChIKey |
ANQVIQIGHGBHKO-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