General Information of the Compound
| Compound ID |
CP0424726
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| Compound Name |
(+/-)-2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-yl)acetic acid
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CC(O)=O)N1
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| InChI |
InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,21+/m0/s1
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| InChIKey |
SJSQQBATFXLXQC-LEWJYISDSA-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5