General Information of the Compound
| Compound ID |
CP0508722
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| Compound Name |
(4R)-4-[[5-chloro-4-[3-[4-(3,3-dimethylcyclobutanecarbonyl)piperazin-1-yl]-1,2,4-oxadiazol-5-yl]-2-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C23H27ClFN5O5
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| Molecular Weight |
507.95
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| Canonical SMILES |
CC1(C)CC(C1)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OC[C@@H]2COC(=O)N2)cc1Cl
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| InChI |
InChI=1S/C23H27ClFN5O5/c1-23(2)9-13(10-23)20(31)29-3-5-30(6-4-29)21-27-19(35-28-21)15-7-17(25)18(8-16(15)24)33-11-14-12-34-22(32)26-14/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,26,32)/t14-/m1/s1
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| InChIKey |
HUMYZIKPMKBMTE-CQSZACIVSA-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