General Information of the Compound
| Compound ID |
CP0845244
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| Compound Name |
[2-(2,6-Dimethoxy-phenoxy)-ethyl]-(4-phenyl-thiochroman-2-ylmethyl)-amine
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| Structure |
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| Formula |
C26H29NO3S
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| Molecular Weight |
435.589
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1
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| InChI |
InChI=1S/C26H29NO3S/c1-28-23-12-8-13-24(29-2)26(23)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-14-25(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3
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| InChIKey |
JGLLHUJRQIQLNY-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