General Information of the Compound
| Compound ID |
CP0384395
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| Compound Name |
2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1
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| InChIKey |
QMNAPCZIOKPJDQ-DNVCBOLYSA-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