General Information of the Compound
| Compound ID |
CP0372320
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| Compound Name |
3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-2-phenyl-2,3-dihydrothiochromen-4-one
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| Structure |
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| Formula |
C26H27NO4S
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| Molecular Weight |
449.572
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1C(Sc2ccccc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C26H27NO4S/c1-29-21-12-8-13-22(30-2)25(21)31-16-15-27-17-20-24(28)19-11-6-7-14-23(19)32-26(20)18-9-4-3-5-10-18/h3-14,20,26-27H,15-17H2,1-2H3
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| InChIKey |
GAWCPJXNKBSMOF-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