General Information of the Compound
| Compound ID |
CP0401708
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| Compound Name |
1-[[4-[5-(4-methyl-5-phenyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H20N4O4
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| Molecular Weight |
416.437
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| Canonical SMILES |
Cc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C23H20N4O4/c1-14-19(25-30-20(14)16-5-3-2-4-6-16)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29)
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| InChIKey |
XMOXLNOYQBCXQH-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