General Information of the Compound
| Compound ID |
CP0435201
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| Compound Name |
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-propan-2-yloxy-1H-indole
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| Structure |
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| Formula |
C23H26N2O
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| Molecular Weight |
346.474
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| Canonical SMILES |
CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C23H26N2O/c1-17(2)26-20-8-9-23-21(14-20)22(15-24-23)19-10-12-25(13-11-19)16-18-6-4-3-5-7-18/h3-10,14-15,17,24H,11-13,16H2,1-2H3
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| InChIKey |
SHLNXAGTOHBRSE-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: PT01005, D(2) dopamine receptor