General Information of the Compound
| Compound ID |
CP0847908
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| Compound Name |
(S)-2-((3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrrolidine-1-carboximidamide hydrochloride
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| Structure |
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| Formula |
C22H34ClN5O
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| Molecular Weight |
420.001
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| Canonical SMILES |
CCCCCCCCc1ccc(-c2noc(C[C@@H]3CCCN3C(=N)N)n2)cc1.Cl
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| InChI |
InChI=1S/C22H33N5O.ClH/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24;/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24);1H/t19-;/m0./s1
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| InChIKey |
REAGUXWEQBFUPB-FYZYNONXSA-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