General Information of the Compound
| Compound ID |
CP0440434
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| Compound Name |
[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C27H31NO2
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| Molecular Weight |
401.55
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| Canonical SMILES |
OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1
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| InChIKey |
OETCYVILHFTAQU-AREMUKBSSA-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
Protein ID: PT01765, Sphingosine kinase 2