General Information of the Compound
| Compound ID |
CP0894399
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| Compound Name |
1-Carbamimidoyl-N-(4-(7-(cyclohexylmethoxy)heptyl)phenyl)cyclopropanecarboxamide Hydrochloride
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| Structure |
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| Formula |
C25H40ClN3O2
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| Molecular Weight |
450.067
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| Canonical SMILES |
Cl.N=C(N)C1(C(=O)Nc2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C25H39N3O2.ClH/c26-23(27)25(16-17-25)24(29)28-22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21;/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29);1H
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| InChIKey |
USJVUDAZWXZSSN-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