General Information of the Compound
| Compound ID |
CP0509109
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| Compound Name |
1-[3-(3-decylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
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| Structure |
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| Formula |
C22H33ClN4O
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| Molecular Weight |
404.986
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| Canonical SMILES |
Cl.CCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
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| InChI |
InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18(16-17)19-25-21(27-26-19)22(14-15-22)20(23)24;/h10,12-13,16H,2-9,11,14-15H2,1H3,(H3,23,24);1H
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| InChIKey |
VWQVJBJZBOWAKW-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: PT01765, Sphingosine kinase 2