General Information of the Compound
| Compound ID |
CP0420054
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| Compound Name |
1-[[4-[5-(4-tert-butyl-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 |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
CC(C)(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H26N4O4/c1-26(2,3)20-21(28-33-22(20)17-7-5-4-6-8-17)24-27-23(29-34-24)18-11-9-16(10-12-18)13-30-14-19(15-30)25(31)32/h4-12,19H,13-15H2,1-3H3,(H,31,32)
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| InChIKey |
HRPSBHVSFBEQRU-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