General Information of the Compound
| Compound ID |
CP0269451
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| Compound Name |
N-[2-(4-nitrophenoxy)ethyl]-3-phenoxypropan-1-amine
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| Structure |
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| Formula |
C17H20N2O4
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| Molecular Weight |
316.357
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| Canonical SMILES |
[O-][N+](=O)c1ccc(OCCNCCCOc2ccccc2)cc1
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| InChI |
InChI=1S/C17H20N2O4/c20-19(21)15-7-9-17(10-8-15)23-14-12-18-11-4-13-22-16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2
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| InChIKey |
OVTLMIGCVPXGIF-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