General Information of the Compound
| Compound ID |
CP0395782
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| Compound Name |
CHEMBL1927579
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| Formula |
C22H37NO
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| Molecular Weight |
331.544
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| Canonical SMILES |
CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCCO
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| InChI |
InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-18-24/h9-12,21-24H,2-8,13-18H2,1H3/t21-,22-
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| InChIKey |
WZNHHRHNCDEYCF-HZCBDIJESA-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