General Information of the Compound
| Compound ID |
CP0382789
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| Compound Name |
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
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| Structure |
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| Formula |
C27H31NO4
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| Molecular Weight |
433.548
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H31NO4/c1-21(2)31-26-16-10-9-15-25(26)29-18-17-28-19-24-20-30-27(32-24,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,24,28H,17-20H2,1-2H3
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| InChIKey |
RBDSAWBTGMXGTK-UHFFFAOYSA-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