General Information of the Compound
| Compound ID |
CP0443773
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| Compound Name |
N-[3-[4-[3-[3,5-dimethyl-4-(2-methylpropyl)thiophen-2-yl]-3-oxopropyl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C26H37NO5S
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| Molecular Weight |
475.651
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| Canonical SMILES |
CC(C)Cc1c(C)sc(C(=O)CCc2cc(C)c(OCC(O)CNC(=O)CO)c(C)c2)c1C
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| InChI |
InChI=1S/C26H37NO5S/c1-15(2)9-22-18(5)26(33-19(22)6)23(30)8-7-20-10-16(3)25(17(4)11-20)32-14-21(29)12-27-24(31)13-28/h10-11,15,21,28-29H,7-9,12-14H2,1-6H3,(H,27,31)
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| InChIKey |
OYISSSFCGPOJML-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: PT01838, Sphingosine 1-phosphate receptor 3