General Information of the Compound
| Compound ID |
CP0401622
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| Compound Name |
ethyl 4-[2-[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]benzoate
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| Structure |
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| Formula |
C27H37NO2
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| Molecular Weight |
407.598
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| Canonical SMILES |
CCCN(CCC)C1CCc2cc(CCc3ccc(cc3)C(=O)OCC)ccc2C1
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| InChI |
InChI=1S/C27H37NO2/c1-4-17-28(18-5-2)26-16-15-24-19-22(11-14-25(24)20-26)8-7-21-9-12-23(13-10-21)27(29)30-6-3/h9-14,19,26H,4-8,15-18,20H2,1-3H3
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| InChIKey |
QZFDRUTWOSVQBO-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