General Information of the Compound
| Compound ID |
CP0323459
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| Compound Name |
[(2R)-1-[[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1
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| InChI |
InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1
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| InChIKey |
LQDSPOUZGCEGTF-HXUWFJFHSA-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: PT01766, Sphingosine kinase 1