General Information of the Compound
| Compound ID |
CP0550285
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| Compound Name |
methyl 1-[[4-[5-[4-(chloromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2ccc(CCl)cc2)C1
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| InChI |
InChI=1S/C22H23ClN2O3/c1-27-22(26)19-13-25(14-19)12-16-4-6-17(7-5-16)20-10-21(28-24-20)18-8-2-15(11-23)3-9-18/h2-9,19,21H,10-14H2,1H3
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| InChIKey |
KFUDXHOPBLZDMP-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