General Information of the Compound
| Compound ID |
CP0847907
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| Compound Name |
(2S,4R)-4-hydroxy-2-(3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide hydrochloride
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| Structure |
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| Formula |
C21H32ClN5O2
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| Molecular Weight |
421.973
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| Canonical SMILES |
CCCCCCCCc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C(=N)N)n2)cc1.Cl
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| InChI |
InChI=1S/C21H31N5O2.ClH/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23;/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23);1H/t17-,18+;/m1./s1
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| InChIKey |
HMEHBENDHAHHNT-URBRKQAFSA-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