General Information of the Compound
| Compound ID |
CP0845159
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| Compound Name |
1-carbamimidoyl-N-(10-(cyclopentylmethoxy)decyl)cyclopropanecarboxamide hydrochloride
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| Structure |
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| Formula |
C21H40ClN3O2
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| Molecular Weight |
402.023
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCC2)CC1
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| InChI |
InChI=1S/C21H39N3O2.ClH/c22-19(23)21(13-14-21)20(25)24-15-9-5-3-1-2-4-6-10-16-26-17-18-11-7-8-12-18;/h18H,1-17H2,(H3,22,23)(H,24,25);1H
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| InChIKey |
WXRMVOXTHDTPIW-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