General Information of the Compound
| Compound ID |
CP0577423
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| Compound Name |
1-[[4-[5-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H20N2O4
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| Molecular Weight |
352.39
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2ccc(O)cc2)C1
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| InChI |
InChI=1S/C20H20N2O4/c23-17-7-5-15(6-8-17)19-9-18(21-26-19)14-3-1-13(2-4-14)10-22-11-16(12-22)20(24)25/h1-8,16,19,23H,9-12H2,(H,24,25)
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| InChIKey |
QRCYJPJDPYKBIR-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