General Information of the Compound
| Compound ID |
CP0856528
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| Compound Name |
trans-N-(2-Hydroxyethyl)-N,N-dimethyl-4-(4-octylphenyl)cyclohexanaminium iodide
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| Formula |
C24H42INO
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| Molecular Weight |
487.51
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| Canonical SMILES |
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCO)CC2)cc1.[I-]
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| InChI |
InChI=1S/C24H42NO.HI/c1-4-5-6-7-8-9-10-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(2,3)19-20-26;/h11-14,23-24,26H,4-10,15-20H2,1-3H3;1H/q+1;/p-1/t23-,24-;
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| InChIKey |
TXAKBDWNWQVONP-FBGQUBCLSA-M
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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: PT03502, Sphingosine kinase 2