General Information of the Compound
| Compound ID |
CP0384401
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| Compound Name |
2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)phenyl)pyrrolidin-3-yl)acetic acid
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| Structure |
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| Formula |
C24H22F3NO3S
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| Molecular Weight |
461.505
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| Canonical SMILES |
OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(H,29,30)
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| InChIKey |
UNTMCOZQSGVJBE-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: 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