General Information of the Compound
| Compound ID |
CP0380314
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| Compound Name |
1-(4-(5-(cyclopropylmethoxy)benzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H22FNO4
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| Molecular Weight |
395.43
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1
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| InChI |
InChI=1S/C23H22FNO4/c24-20-7-15(10-25-11-17(12-25)23(26)27)3-5-19(20)22-9-16-8-18(4-6-21(16)29-22)28-13-14-1-2-14/h3-9,14,17H,1-2,10-13H2,(H,26,27)
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| InChIKey |
BYFKPGCGGJYLMW-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