General Information of the Compound
| Compound ID |
CP0377888
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| Compound Name |
Benzyl-[2-(6-chloro-2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
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| Structure |
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| Formula |
C17H15ClF3N3O
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| Molecular Weight |
369.774
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| Canonical SMILES |
FC(F)(F)c1nc2c(OCCNCc3ccccc3)cc(Cl)cc2[nH]1
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| InChI |
InChI=1S/C17H15ClF3N3O/c18-12-8-13-15(24-16(23-13)17(19,20)21)14(9-12)25-7-6-22-10-11-4-2-1-3-5-11/h1-5,8-9,22H,6-7,10H2,(H,23,24)
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| InChIKey |
MMZIPJNBJQJCBM-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