General Information of the Compound
| Compound ID |
CP0895046
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| Compound Name |
1-Carbamimidoyl-N-(4-(9-phenylnonyl)phenyl)cyclopropanecarboxamide Hydrochloride
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| Structure |
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| Formula |
C26H36ClN3O
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| Molecular Weight |
442.047
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C26H35N3O.ClH/c27-24(28)26(19-20-26)25(30)29-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21;/h6,9-10,12-13,15-18H,1-5,7-8,11,14,19-20H2,(H3,27,28)(H,29,30);1H
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| InChIKey |
YCQGOORUHDLCTJ-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