General Information of the Compound
| Compound ID |
CP0424242
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| Compound Name |
3-[1-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
COc1cccc(CN2CCC(=CC2)c2c[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C21H22N2O/c1-24-18-6-4-5-16(13-18)15-23-11-9-17(10-12-23)20-14-22-21-8-3-2-7-19(20)21/h2-9,13-14,22H,10-12,15H2,1H3
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| InChIKey |
ALKXNIXXISSQFE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor