General Information of the Compound
| Compound ID |
CP0435202
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| Compound Name |
3-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-methoxy-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 |
COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C21H22N2O/c1-24-18-7-8-21-19(13-18)20(14-22-21)17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-9,13-14,22H,10-12,15H2,1H3
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| InChIKey |
ALXBTSBMBMBYHQ-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor