General Information of the Compound
| Compound ID |
CP0453332
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| Compound Name |
2-[5-(5-Bromo-2,3-dimethoxy-phenyl)-1H-pyrrol-2-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
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| Structure |
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| Formula |
C22H23BrN2O2
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| Molecular Weight |
427.342
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| Canonical SMILES |
COc1cc(Br)cc(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1OC
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| InChI |
InChI=1S/C22H23BrN2O2/c1-26-21-12-17(23)11-19(22(21)27-2)20-8-7-18(24-20)14-25-10-9-15-5-3-4-6-16(15)13-25/h3-8,11-12,24H,9-10,13-14H2,1-2H3
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| InChIKey |
WZKNBWSCKIWALS-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor