General Information of the Compound
| Compound ID |
CP0847650
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| Compound Name |
1-Carbamimidoyl-N-(10-(cyclohexylmethoxy)decyl)cyclopropanecarboxamide Hydrochloride
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| Structure |
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| Formula |
C22H42ClN3O2
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| Molecular Weight |
416.05
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCCC2)CC1
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| InChI |
InChI=1S/C22H41N3O2.ClH/c23-20(24)22(14-15-22)21(26)25-16-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19;/h19H,1-18H2,(H3,23,24)(H,25,26);1H
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| InChIKey |
MONAIDLXOPLJNS-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