General Information of the Compound
| Compound ID |
CP0368510
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| Compound Name |
[(2R)-1-[[4-[(3-cyclohexylphenoxy)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C25H33NO2
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| Molecular Weight |
379.544
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| Canonical SMILES |
OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1
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| InChIKey |
IDDPLMRULNJWFB-XMMPIXPASA-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