General Information of the Compound
| Compound ID |
CP0418982
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| Compound Name |
CHEMBL1927562
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| Formula |
C21H35N
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| Molecular Weight |
301.518
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| Canonical SMILES |
CCCCCCCCc1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC
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| InChI |
InChI=1S/C21H35N/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(22-2)17-15-20/h10-13,20-22H,3-9,14-17H2,1-2H3/t20-,21+
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| InChIKey |
FBJFXRRRXWTKEA-OYRHEFFESA-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