General Information of the Compound
| Compound ID |
CP0374168
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| Compound Name |
2-(2,6-dimethoxyphenoxy)-N-[[(2R,6S)-6-phenyl-1,4-dioxan-2-yl]methyl]ethanamine
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| Structure |
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| Formula |
C21H27NO5
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| Molecular Weight |
373.449
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| Canonical SMILES |
COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1
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| InChI |
InChI=1S/C21H27NO5/c1-23-18-9-6-10-19(24-2)21(18)26-12-11-22-13-17-14-25-15-20(27-17)16-7-4-3-5-8-16/h3-10,17,20,22H,11-15H2,1-2H3/t17-,20-/m1/s1
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| InChIKey |
GEQVVCLGCINCDF-YLJYHZDGSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 79400 nM
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TI
LI
LO
TS
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