General Information of the Compound
| Compound ID |
CP0911712
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| Compound Name |
(S)-2-(5-(4-Octylphenyl)-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboximidamide Hydrochloride
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| Structure |
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| Formula |
C21H32ClN5O
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| Molecular Weight |
405.974
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| Canonical SMILES |
CCCCCCCCc1ccc(-c2nc([C@@H]3CCCN3C(=N)N)no2)cc1.Cl
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| InChI |
InChI=1S/C21H31N5O.ClH/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20-24-19(25-27-20)18-10-8-15-26(18)21(22)23;/h11-14,18H,2-10,15H2,1H3,(H3,22,23);1H/t18-;/m0./s1
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| InChIKey |
DTOZNNQBEWKNDH-FERBBOLQSA-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