General Information of the Compound
| Compound ID |
CP0894398
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| Compound Name |
1-Carbamimidoyl-N-hexadecylcyclopropanecarboxamide Hydrochloride
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| Structure |
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| Formula |
C21H42ClN3O
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| Molecular Weight |
388.04
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=O)C1(C(=N)N)CC1.Cl
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| InChI |
InChI=1S/C21H41N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(25)21(16-17-21)19(22)23;/h2-18H2,1H3,(H3,22,23)(H,24,25);1H
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| InChIKey |
FLZRHVDSSQQWGE-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: PT03502, Sphingosine kinase 2