General Information of the Compound
| Compound ID |
CP0410678
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| Compound Name |
3-[[4-[(E)-C-methyl-N-[[4-thiophen-2-yl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C24H23F3N2O3S
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| Molecular Weight |
476.52
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| Canonical SMILES |
C\C(=N/OCc1ccc(-c2cccs2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
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| InChI |
InChI=1S/C24H23F3N2O3S/c1-16(19-7-4-17(5-8-19)14-28-11-10-23(30)31)29-32-15-18-6-9-20(22-3-2-12-33-22)21(13-18)24(25,26)27/h2-9,12-13,28H,10-11,14-15H2,1H3,(H,30,31)/b29-16+
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| InChIKey |
WPZOGBHZDWXKSH-MUFRIFMGSA-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