General Information of the Compound
| Compound ID |
CP0440020
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| Compound Name |
N-[(2S)-3-[4-[5-(2-cyclopentyl-6-ethylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C28H36N4O5
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| Molecular Weight |
508.619
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| Canonical SMILES |
CCc1cc(cc(n1)C1CCCC1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
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| InChI |
InChI=1S/C28H36N4O5/c1-4-18-11-20(10-17(3)26(18)36-16-23(34)14-29-25(35)15-33)27-31-28(37-32-27)21-12-22(5-2)30-24(13-21)19-8-6-7-9-19/h10-13,19,23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t23-/m0/s1
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| InChIKey |
ZBABREVDNGVPBK-QHCPKHFHSA-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