General Information of the Compound
| Compound ID |
CP0449025
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| Compound Name |
3-((4-(allyloxy)-4-(4-chlorophenyl)piperidin-1-yl)methyl)-1H-indole
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| Structure |
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| Formula |
C23H25ClN2O
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| Molecular Weight |
380.919
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCN(Cc2c[nH]c3ccccc23)CC1)OCC=C
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| InChI |
InChI=1S/C23H25ClN2O/c1-2-15-27-23(19-7-9-20(24)10-8-19)11-13-26(14-12-23)17-18-16-25-22-6-4-3-5-21(18)22/h2-10,16,25H,1,11-15,17H2
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| InChIKey |
KOGYKWMOOUGINB-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor