General Information of the Compound
| Compound ID |
CP0398773
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| Compound Name |
1-(4-(5-isobutylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H25NO3
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| Molecular Weight |
363.457
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| Canonical SMILES |
CC(C)Cc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C23H25NO3/c1-15(2)9-17-5-8-21-19(10-17)11-22(27-21)18-6-3-16(4-7-18)12-24-13-20(14-24)23(25)26/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,25,26)
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| InChIKey |
SKIYSJMDYYSHLN-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