General Information of the Compound
| Compound ID |
CP0545371
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| Compound Name |
methyl 1-[[4-[5-(4-tert-butylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C25H30N2O3
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| Molecular Weight |
406.526
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2ccc(cc2)C(C)(C)C)C1
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| InChI |
InChI=1S/C25H30N2O3/c1-25(2,3)21-11-9-19(10-12-21)23-13-22(26-30-23)18-7-5-17(6-8-18)14-27-15-20(16-27)24(28)29-4/h5-12,20,23H,13-16H2,1-4H3
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| InChIKey |
HUQDTEDXUHQISP-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