General Information of the Compound
| Compound ID |
CP0390646
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| Compound Name |
N-(1-carbamimidoylcyclopropyl)-3-dodecylbenzamide;hydrochloride
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| Structure |
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| Formula |
C23H38ClN3O
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| Molecular Weight |
408.03
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| Canonical SMILES |
Cl.CCCCCCCCCCCCc1cccc(c1)C(=O)NC1(CC1)C(N)=N
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| InChI |
InChI=1S/C23H37N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21(27)26-23(16-17-23)22(24)25;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,24,25)(H,26,27);1H
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| InChIKey |
JBFINKUPUQRVFS-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