General Information of the Compound
| Compound ID |
CP0894401
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| Compound Name |
(S)-1-(11-(Cyclohexylmethoxy)undecanoyl)pyrrolidine-2-carboximidamide Hydrochloride
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| Structure |
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| Formula |
C23H44ClN3O2
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| Molecular Weight |
430.077
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| Canonical SMILES |
Cl.N=C(N)[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1
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| InChI |
InChI=1S/C23H43N3O2.ClH/c24-23(25)21-15-12-17-26(21)22(27)16-10-5-3-1-2-4-6-11-18-28-19-20-13-8-7-9-14-20;/h20-21H,1-19H2,(H3,24,25);1H/t21-;/m0./s1
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| InChIKey |
BUVJDEDXHQJGDR-BOXHHOBZSA-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