General Information of the Compound
| Compound ID |
CP0919183
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| Compound Name |
4-(7-Butoxyheptyl)-N-(1-carbamimidoylcyclopropyl)benzamide Hydrochloride
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| Structure |
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| Formula |
C22H36ClN3O2
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| Molecular Weight |
410.002
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| Canonical SMILES |
CCCCOCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CC2)cc1.Cl
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| InChI |
InChI=1S/C22H35N3O2.ClH/c1-2-3-16-27-17-8-6-4-5-7-9-18-10-12-19(13-11-18)20(26)25-22(14-15-22)21(23)24;/h10-13H,2-9,14-17H2,1H3,(H3,23,24)(H,25,26);1H
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| InChIKey |
GPCOAFSYTHEVRX-UHFFFAOYSA-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: PT03502, Sphingosine kinase 2