General Information of the Compound
| Compound ID |
CP0419847
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| Compound Name |
1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H18Cl2F3NO3S
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| Molecular Weight |
516.368
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| Canonical SMILES |
OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
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| InChI |
InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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| InChIKey |
ZEWHUZLAFGAHQV-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