General Information of the Compound
| Compound ID |
CP0440433
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| Compound Name |
[(2R)-1-[[4-[[3-[(2-fluorophenyl)methoxy]phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C26H28FNO3
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| Molecular Weight |
421.512
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| Canonical SMILES |
OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3F)c2)cc1
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| InChI |
InChI=1S/C26H28FNO3/c27-26-9-2-1-5-22(26)19-31-25-8-3-7-24(15-25)30-18-21-12-10-20(11-13-21)16-28-14-4-6-23(28)17-29/h1-3,5,7-13,15,23,29H,4,6,14,16-19H2/t23-/m1/s1
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| InChIKey |
PHNPDQFIXHTOBV-HSZRJFAPSA-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