General Information of the Compound
| Compound ID |
CP0159468
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| Compound Name |
3-(4-bromophenoxy)-N-[2-(4-chlorophenoxy)ethyl]propan-1-amine
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| Structure |
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| Formula |
C17H19BrClNO2
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| Molecular Weight |
384.701
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| Canonical SMILES |
Clc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1
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| InChI |
InChI=1S/C17H19BrClNO2/c18-14-2-6-16(7-3-14)21-12-1-10-20-11-13-22-17-8-4-15(19)5-9-17/h2-9,20H,1,10-13H2
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| InChIKey |
PFKZREOHDYTZJM-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: PT01161, D(4) dopamine receptor