General Information of the Compound
| Compound ID |
CP0547860
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| Compound Name |
[(2R)-1-[[4-[[3-(cyclopropylsulfonylmethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C23H29NO4S
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| Molecular Weight |
415.555
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| Canonical SMILES |
OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1
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| InChI |
InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1
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| InChIKey |
QEOPCZCCWMDUAX-OAQYLSRUSA-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