General Information of the Compound
| Compound ID |
CP0380308
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| Compound Name |
1-(4-(5-butylbenzofuran-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 |
CCCCc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C23H25NO3/c1-2-3-4-16-7-10-21-19(11-16)12-22(27-21)18-8-5-17(6-9-18)13-24-14-20(15-24)23(25)26/h5-12,20H,2-4,13-15H2,1H3,(H,25,26)
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| InChIKey |
RNLDQNXXXBUINJ-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