General Information of the Compound
| Compound ID |
CP0377177
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| Compound Name |
4-(4-bromophenyl)-1-((4-methoxy-1H-indol-3-yl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C21H23BrN2O2
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| Molecular Weight |
415.331
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| Canonical SMILES |
COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12
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| InChI |
InChI=1S/C21H23BrN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
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| InChIKey |
YCAAJJCVIFKZBL-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