General Information of the Compound
| Compound ID |
CP0545361
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| Compound Name |
1-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)C1CC(=NO1)c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C24H25N3O4/c1-15(2)30-22-8-7-18(9-19(22)11-25)23-10-21(26-31-23)17-5-3-16(4-6-17)12-27-13-20(14-27)24(28)29/h3-9,15,20,23H,10,12-14H2,1-2H3,(H,28,29)
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| InChIKey |
GAAJMSRKSPKQBQ-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