General Information of the Compound
| Compound ID |
CP0544664
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| Compound Name |
1-[3-(3-undecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
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| Structure |
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| Formula |
C23H35ClN4O
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| Molecular Weight |
419.013
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| Canonical SMILES |
Cl.CCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N
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| InChI |
InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-12-18-13-11-14-19(17-18)20-26-22(28-27-20)23(15-16-23)21(24)25;/h11,13-14,17H,2-10,12,15-16H2,1H3,(H3,24,25);1H
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| InChIKey |
SQGLFCMAZMOELA-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