General Information of the Compound
| Compound ID |
CP0878920
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| Compound Name |
N-(1-Carbamimidoylcyclobutyl)-4-dodecylbenzamide Hydrochloride
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| Structure |
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| Formula |
C24H40ClN3O
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| Molecular Weight |
422.057
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| Canonical SMILES |
CCCCCCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CCC2)cc1.Cl
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| InChI |
InChI=1S/C24H39N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24;/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28);1H
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| InChIKey |
PJDAPCUEWPQLMM-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