General Information of the Compound
| Compound ID |
CP0576644
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| Compound Name |
methyl 1-[[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]pyrrolidine-3-carboxylate
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| Structure |
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| Formula |
C25H29ClN2O4
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| Molecular Weight |
456.97
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| Canonical SMILES |
COC(=O)C1CCN(Cc2ccc(cc2)C2=NOC(C2)c2ccc(OC(C)C)c(Cl)c2)C1
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| InChI |
InChI=1S/C25H29ClN2O4/c1-16(2)31-23-9-8-19(12-21(23)26)24-13-22(27-32-24)18-6-4-17(5-7-18)14-28-11-10-20(15-28)25(29)30-3/h4-9,12,16,20,24H,10-11,13-15H2,1-3H3
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| InChIKey |
QXUHCFVRCLLEBB-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