General Information of the Compound
| Compound ID |
CP0550290
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| Compound Name |
methyl 1-[[4-[5-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C21H21BrN2O3
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| Molecular Weight |
429.314
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2cccc(Br)c2)C1
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| InChI |
InChI=1S/C21H21BrN2O3/c1-26-21(25)17-12-24(13-17)11-14-5-7-15(8-6-14)19-10-20(27-23-19)16-3-2-4-18(22)9-16/h2-9,17,20H,10-13H2,1H3
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| InChIKey |
PFKCWNWNAUYJJJ-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