General Information of the Compound
| Compound ID |
CP0734046
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| Compound Name |
(S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidamide 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)N2CCC[C@H]2C(=N)N)cc1.Cl
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| InChI |
InChI=1S/C24H39N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26;/h15-18,22H,2-14,19H2,1H3,(H3,25,26);1H/t22-;/m0./s1
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| InChIKey |
DZJFOZAYJQCRHK-FTBISJDPSA-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
Protein ID: PT01765, Sphingosine kinase 2